SCHEMBL728433

SCHEMBL728433

CC(C)Oc1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 2/20 0.54
CTSV O60911 2/20 0.50
CTSL P07711 2/20 0.50
CYP19A1 P11511 2/20 0.50
HTT P42858 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
PDK1 Q15118 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ANO1 Q5XXA6 1/20 0.46
ANO2 Q9NQ90 1/20 0.46
MYC P01106 1/20 0.45
MAX P61244 1/20 0.45
LMNA P02545 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
SCHEMBL7912218 0.89 CYP19A1 (0.51) ALDH1A1MAPTCTSVCTSLCYP19A1
SCHEMBL16392514 0.88 ALDH1A1 (0.54) ALDH1A1MAPTCTSVCTSLCYP19A1
SCHEMBL16960692 0.86 CYP19A1 (0.51) ALDH1A1MAPTCTSVCTSLCYP19A1
SCHEMBL729587 0.85 CYP19A1 (0.51) ALDH1A1MAPTCTSVCTSLCYP19A1
SCHEMBL17202413 0.85 ALDH1A1 (0.48) ALDH1A1MAPTCTSVCTSLHTT
SCHEMBL7564264 0.84 HTT (0.53) ALDH1A1MAPTCTSVCTSLCYP19A1
SCHEMBL5133112 0.84 TP53 (0.50) ALDH1A1MAPTCTSVCTSLHTT
SCHEMBL1671926 0.83 CTSV (0.60) ALDH1A1MAPTCTSVCTSLHTT
SCHEMBL8940873 0.83 KMT2A (0.63) ALDH1A1MAPTCTSVCTSLHTT
SCHEMBL10024459 0.82 HTT (0.45) ALDH1A1MAPTCTSVCTSLHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108929263-B Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-07-22 CN disclosed
CN-111108092-A Arylamide Kv2.1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2020-05-05 CN disclosed
CN-108929263-A Aryl amide Kv2.1 inhibitor and preparation method thereof, pharmaceutical composition and purposes 中国医学科学院药物研究所 2018-12-04 CN disclosed
CN-104211635-A Piperidine compounds, and preparation method, pharmaceutical compositions and use thereof SHANGHAI INST MATERIA MEDICA 2014-12-17 CN disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
US-8450506-B2 Compounds and their salts specific to the PPAR receptors and the EGF Receptors and their use in the medical field NOGRA PHARMA LIMITED (IE) 2013-05-28 US disclosed
CN-101243043-B Compounds and their salts specific to the PPAR receptors and the EGF receptors and their use in the medical field GIULIANI INT LTD 2013-03-20 CN disclosed
EP-1910275-B1 COMPOUNDS AND THEIR SALTS SPECIFIC TO THE PPAR RECEPTORS AND THE EGF RECEPTORS AND THEIR USE IN THE MEDICAL FIELD NOGRA PHARMA LTD (IE) 2013-02-13 EP 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-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-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
US-5547966-A Aryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1996-08-20 US disclosed
EP-0656350-A1 Biaryl urea and related compounds BRISTOL-MYERS SQUIBB COMPANY (US) 1995-06-07 EP 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 (4 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-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 ALDH1A1 2287/4885MAPT 4833/4885CTSV 3296/4885
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 ALDH1A1 784/4885MAPT 986/4885CTSV 4252/4885
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 ALDH1A1 2351/4885MAPT 4827/4885CTSV 3243/4885
US-20020137750-A1 Amidine derivatives which are inhibitors of nitric oxide synthase NOS1, NOS2, NOS3 ALDH1A1 449/4885MAPT 1559/4885CTSV 4554/4885

“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.