Sugi Predict

Sugi Predict / Compounds / SCHEMBL688229

SCHEMBL688229

SCHEMBL688229

Cc1ccc([N+](=O)[O-])c(C(N)=O)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.58
▸ CYP3A4 P08684 2/20 0.58
▸ MAPT P10636 4/20 0.52
▸ LMNA P02545 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ MITF O75030 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CCR6 P51684 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52
▸ BLM P54132 1/20 0.47
▸ PMP22 Q01453 1/20 0.47
▸ KCNMA1 Q12791 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ GPR35 Q9HC97 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
SCHEMBL404538 0.86 TSHR (0.58) TSHRCYP3A4MAPTLMNAALDH1A1
SCHEMBL28395903 0.85 TSHR (0.62) TSHRCYP3A4MAPTALDH1A1HTT
SCHEMBL8883472 0.84 TSHR (0.56) TSHRCYP3A4MAPTLMNAALDH1A1
SCHEMBL29935450 0.84 DTYMK (0.62) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL149316 0.84 DTYMK (0.62) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL1277039 0.84 TSHR (0.60) TSHRCYP3A4MAPTALDH1A1KCNMA1
Hydrochloric Acid SCHEMBL3730916 0.82 DTYMK (0.60) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL11048087 0.82 DTYMK (0.60) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL8446509 0.82 DTYMK (0.60) TSHRCYP3A4MAPTALDH1A1POLB
SCHEMBL8446508 0.82 TSHR (0.58) TSHRCYP3A4MAPTALDH1A1KCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 — — US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO claimed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 — — US disclosed
US-9475822-B2 Substituted 2- amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-25 — — US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 — — US disclosed
US-9212149-B2 Substituted 2-amidoquinazol-4-ones as matrix metalloproteinase-13 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-12-15 — — US disclosed
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 — — US disclosed
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2015-11-19 — — US disclosed
US-9045437-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-06-02 — — US disclosed
US-9006239-B2 2-aryl-4-quinazolinones and their pharmaceutical compositions CHINA MEDICAL UNIVERSITY (TW) 2015-04-14 — — US disclosed
WO-2005105760-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 — — WO disclosed
WO-2004045500-A2 PROCESS FOR SYNTHESIZING ANTIFOLATES BIONUMERIK PHARMACEUTICALS, INC. (US) 2004-06-03 — — WO disclosed
US-20040092739-A1 Process for synthesizing antifolates BIONUMERIK PHARMACEUTICALS, INC. 2004-05-13 — — US disclosed
US-5631206-A Herbicidal heteroaryl substituted anilides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1997-05-20 — — US disclosed
EP-0722441-A1 HERBICIDAL HETEROARYL SUBSTITUTED ANILIDES E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1996-07-24 — — EP disclosed
WO-1995009846-A1 HERBICIDAL HETEROARYL SUBSTITUTED ANILIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-04-13 — — WO disclosed
US-5234925-A Anticarcinogenic agent DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-08-10 — — US disclosed
WO-1993004051-A1 2-AZA-2-DESAMINO ANALOGUES OF 5,8-DIDEAZAFOLIC ACID DANA-FARBER CANCER INSTITUTE, INC. (US) 1993-03-04 — — 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 (6 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG TSHR 3812/4885CYP3A4 717/4885MAPT 3259/4885
US-20150329556-A1 SUBSTITUTED 2- AMIDOQUINAZOL-4-ONES AS MATRIX METALLOPROTEINASE-13 INHIBITORS MMP13, MMP14, MMP25 TSHR 1790/4885CYP3A4 294/4885MAPT 4843/4885
US-20040092739-A1 Process for synthesizing antifolates DHFR, FDPS, MTHFD2 TSHR 2632/4885CYP3A4 475/4885MAPT 3086/4885
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TSHR 1818/4885CYP3A4 207/4885MAPT 1198/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 TSHR 1818/4885CYP3A4 207/4885MAPT 1198/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG TSHR 3812/4885CYP3A4 717/4885MAPT 3259/4885

“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.