Sugi Predict

Sugi Predict / Compounds / SCHEMBL1340066

SCHEMBL1340066

SCHEMBL1340066

O=C(O)c1cccc([N+](=O)[O-])c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR35 Q9HC97 2/20 0.67
▸ TSHR P16473 1/20 0.66
▸ ERN1 O75460 1/20 0.53
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ TDP1 Q9NUW8 2/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ ALB P02768 1/20 0.50
▸ P2RX1 P51575 1/20 0.50
▸ CXCR1 P25024 1/20 0.50
▸ CXCR2 P25025 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ KMT2A Q03164 1/20 0.50

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
SCHEMBL71887 1.00 GPR35 (0.67) GPR35TSHRERN1CRHBPCRHR2
SCHEMBL15557859 0.98 GPR35 (0.64) GPR35TSHRERN1CRHBPCRHR2
SCHEMBL11306178 0.86 GPR35 (0.69) GPR35TSHRERN1CRHBPCRHR2
SCHEMBL1456960 0.85 GPR35 (0.67) GPR35TSHRERN1CRHBPCRHR2
SCHEMBL27918959 0.84 HNF4A (0.57) GPR35TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL29506396 0.83 GPR35 (0.64) GPR35TSHRERN1CRHBPCRHR2
SCHEMBL894810 0.83 GPR35 (0.64) GPR35TSHRERN1CRHBPCRHR2
SCHEMBL312392 0.83 GPR35 (0.64) GPR35TSHRERN1CRHBPCRHR2
SCHEMBL4370490 0.83 MAPT (0.74) TSHRERN1ALDH1A1KDM4EMEN1
SCHEMBL8610738 0.82 TSHR (0.68) GPR35TSHRTDP1L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116043261-A Preparation method of nitrogen-sulfur-phosphorus-containing high-entropy metal FeCuAlNiZn 中国科学院山西煤炭化学研究所 2023-05-02 — — CN claimed
CN-117658886-A Hydrazide peptide deformylase inhibitor and preparation method and application thereof 河南师范大学 2024-03-08 — — CN disclosed
CN-117164481-A Methyl (3-methylaminopropyl) carbamate derivatives of ZL006-05 and pharmaceutically acceptable salts thereof and pharmaceutical application thereof 苏州南医大创新中心 2023-12-05 — — CN disclosed
WO-2023151188-A1 GREEN SYNTHESIS METHOD OF ANTIVIRAL DRUG INTERMEDIATE 上海皓元医药股份有限公司 2023-08-17 — — WO disclosed
CN-114671798-B Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-08-16 — — CN disclosed
CN-114671798-A Green synthesis method of antiviral drug intermediate 上海皓元医药股份有限公司 2022-06-28 — — CN disclosed
WO-2022099018-A1 PROCESS OF PREPARING A PD-1/PD-L1 INHIBITOR INCYTE CORPORATION (US) 2022-05-12 — — WO disclosed
US-8288435-B2 2-aza-bicyclo[3.1.0]hexane derivatives as orexin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2012-10-16 — — US disclosed
EP-2314585-B1 Condensed benzamide compounds as inhibitors of vanilloid receptor subtype 1 (VR1) activity JAPAN TOBACCO INC (JP) 2012-09-12 — — EP disclosed
US-8063099-B2 Trans-3-aza-bicyclo[3.1.0]hexane derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-22 — — US disclosed
EP-2185512-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-05-19 — — EP disclosed
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Phamaceuticals Ltd. (CH) 2010-01-21 — — US disclosed
EP-2094690-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2009-09-02 — — EP disclosed
EP-2079690-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-07-22 — — EP disclosed
WO-2009016560-A2 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-02-05 — — WO disclosed
WO-2008081399-A2 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2008-07-10 — — WO disclosed
WO-2008038251-A2 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-04-03 — — WO disclosed
EP-1777225-A1 FUSED BENZAMIDE COMPOUND AND VANILLOID RECEPTOR 1 (VR1) ACTIVITY INHIBITOR Japan Tobacco, Inc. (JP) 2007-04-25 — — EP disclosed
US-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY JAPAN TOBACCO INC. (JP) 2006-02-16 — — US disclosed
WO-2001009127-A1 BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE AVENTIS PHARMA S.A. (FR) 2001-02-08 — — 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 (2 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-20060035882-A1 CONDENSED BENZAMIDE COMPOUNDS AND INHIBITORS OF VANILLOID RECEPTOR SUBTYPE 1 (VR1) ACTIVITY TRPV1, TRPV2, TRPA1 GPR35 360/4885TSHR 1749/4885ERN1 2094/4885
US-20100016401-A1 3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES HCRTR1, HCRTR2, CNR1 GPR35 395/4885TSHR 536/4885ERN1 4055/4885

“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.