SCHEMBL729587

SCHEMBL729587

COC(=O)c1cc([N+](=O)[O-])ccc1OC(C)C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.51
MAPT P10636 5/20 0.49
LMNA P02545 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 4/20 0.48
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 3/20 0.45
PKM P14618 2/20 0.45
CTSV O60911 1/20 0.45
CTSL P07711 1/20 0.45
HSP90AA1 P07900 1/20 0.45
PAX8 Q06710 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTT P42858 3/20 0.45
PDK1 Q15118 1/20 0.45
RAB9A P51151 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5629080 0.87 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL7912218 0.87 CYP19A1 (0.51) CYP19A1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL728433 0.85 ALDH1A1 (0.54) CYP19A1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL570064 0.85 TDP1 (0.57) CYP19A1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL9234021 0.85 ALDH1A1 (0.52) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL7563126 0.85 CYP19A1 (0.54) CYP19A1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL16960692 0.84 CYP19A1 (0.51) CYP19A1MAPTLMNASMN1; SMN2ALDH1A1
SCHEMBL6567723 0.83 MEN1 (0.52) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL27547838 0.82 ALDH1A1 (0.50) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL6567038 0.82 MAPT (0.47) MAPTLMNASMN1; SMN2ALDH1A1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138969-A1 TRIAZOLE COMPOUND HAVING NOVEL RING STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2026-05-21 US disclosed
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2025-01-21 US disclosed
US-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER (US) 2023-10-26 US disclosed
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2023-07-18 US disclosed
EP-3536685-B1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS PFIZER (US) 2022-02-16 EP disclosed
US-20200377511-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER INC. (US) 2020-12-03 US disclosed
CN-106458912-B Bicyclic fused heteroaryl or aryl compounds and their use as IRAK4 mimetics 辉瑞公司 2020-10-27 CN disclosed
US-10793579-B2 Bicyclic-fused heteroaryl or aryl compounds PFIZER INC. (US) 2020-10-06 US disclosed
EP-3536685-A1 BICYCLIC-FUSED HETEROARYL OR ARYL COMPOUNDS AND THEIR USE AS IRAK4 INHIBITORS Pfizer Inc (US) 2019-09-11 EP disclosed
US-20190270751-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds PFIZER INC. (US) 2019-09-05 US disclosed
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field GIULIANI INTERNATIONAL LIMITED (IE) 2012-12-13 US disclosed
US-8138357-B2 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2012-03-20 US disclosed
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INTERNATIONAL LIMITED (IE) 2009-05-07 US disclosed
CN-101243043-A Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INT LTD (IE) 2008-08-13 CN disclosed
EP-1910275-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD Giuliani International Limited (IE) 2008-04-16 EP disclosed
WO-2007010514-A2 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD GIULIANI INTERNATIONAL LIMITED (IE) 2007-01-25 WO disclosed
US-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain ASTRAZENECA AB (SE) 2002-09-26 US disclosed
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase ASTRAZENECA AB (SE) 2002-09-26 US disclosed
WO-2001046171-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed
WO-2001046170-A1 AMIDINE DERIVATIVES WHICH ARE INHIBITORS OF NITRIC OXIDE SYNTHASE ASTRAZENECA AB (SE) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260138969-A1 TRIAZOLE COMPOUND HAVING NOVEL RING STRUCTURE, METHOD FOR PREPARING SAME, AND USE THEREOF CASP1, CASP3, BAD CYP19A1 3692/4885MAPT 361/4885LMNA 2049/4885
US-20090118357-A1 Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field EGFR, ERBB3, FGFR3 CYP19A1 1023/4885MAPT 4833/4885LMNA 4380/4885
US-20020137736-A1 N-(4-methoxy-3-((methylamino)methyl)phenyl)-2 -thiophenecarboximidamide, for example; nitric oxide synthase inhibitors; treating hypoxia, ischemia, stroke, Parkinson's disease, anxiety, schizophrenia, migraine and pain OPRM1, HIF1AN, MAOB CYP19A1 808/4885MAPT 986/4885LMNA 3069/4885
US-20190270751-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds UGT2B7, CYP3A43, CYP3A4 CYP19A1 70/4885MAPT 22/4885LMNA 1045/4885
US-20200377511-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds UGT2B7, CYP3A43, CYP3A4 CYP19A1 70/4885MAPT 22/4885LMNA 1045/4885
US-10793579-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 CYP19A1 70/4885MAPT 22/4885LMNA 1045/4885
US-20230339960-A1 Bicyclic-Fused Heteroaryl or Aryl Compounds TTR, TYR, ABL1 CYP19A1 134/4885MAPT 9/4885LMNA 2082/4885
US-12202836-B2 Bicyclic-fused heteroaryl or aryl compounds TTR, TYR, ABL1 CYP19A1 134/4885MAPT 9/4885LMNA 2082/4885
US-20120316230-A1 Compounds and their Salts Specific to the PPAR Receptors and the EGF Receptors and their Use in the Medical Field EGFR, ERBB3, FGFR3 CYP19A1 856/4885MAPT 4827/4885LMNA 4276/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 CYP19A1 67/4885MAPT 1559/4885LMNA 1976/4885
US-11702424-B2 Bicyclic-fused heteroaryl or aryl compounds UGT2B7, CYP3A43, CYP3A4 CYP19A1 70/4885MAPT 22/4885LMNA 1045/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.