SCHEMBL177700

SCHEMBL177700

O=[N+]([O-])c1ccc(Cc2ncc[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 4/20 0.57
POLB P06746 1/20 0.56
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
HSP90AA1 P07900 1/20 0.51
AGTR1 P30556 1/20 0.51
RIPK1 Q13546 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
GAA P10253 1/20 0.44
PKM P14618 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP2C19 P33261 1/20 0.44
HTR1A P08908 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DBH P09172 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL27476666 0.84 TAAR1 (0.48) TAAR1POLBMEN1KMT2ARAB9A
SCHEMBL7117502 0.83 KMT2A (0.48) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL13372830 0.82 TAAR1 (0.80) TAAR1ALDH1A1HTR1ASMN1; SMN2TSHR
SCHEMBL17911903 0.82 TAAR1 (0.55) TAAR1MEN1KMT2ARIPK1ALDH1A1
Hydrochloric Acid SCHEMBL11039438 0.82 TBXAS1 (0.48) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL1206805 0.82 CHRM2 (0.50) TAAR1POLBMEN1KMT2ARAB9A
Nitric Acid SCHEMBL28853200 0.79 TAAR1 (0.75) TAAR1MEN1KMT2ARIPK1GAA
SCHEMBL11755957 0.78 LMNA (0.54) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL27543185 0.76 POLB (0.62) POLBMEN1KMT2ARAB9ANPC1
SCHEMBL17817051 0.76 MAPT (0.57) MEN1KMT2ARAB9ANPC1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852864-A Durable antistatic polyurethane elastomer and preparation method thereof 青岛柔彩环保新型建筑材料有限公司 2024-10-29 CN claimed
CN-118852864-A Durable antistatic polyurethane elastomer and preparation method thereof 青岛柔彩环保新型建筑材料有限公司 2024-10-29 CN disclosed
EP-2097413-B1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2013-12-25 EP disclosed
US-8604029-B2 2-[(2-substituted)-indolizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD BRITISH BODY CORPORATE (GB) 2013-12-10 US disclosed
CN-101679410-B 2-[(2-substituted)-ind0lizin-3-yl]-2-oxo-acetamide derivatives as antifungal agents F2G LTD 2013-11-27 CN disclosed
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 US disclosed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP disclosed
US-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS DUMAS JACQUES (US) 2012-06-14 US disclosed
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas DUMAS JACQUES (US) 2012-05-24 US disclosed
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER HEALTHCARE LLC 2012-02-23 US disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
EP-0497512-B1 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME (GB) 1997-09-24 EP disclosed
EP-0778275-A1 Process for the preparation of imidazole, triazole and tetrazole derivatives and their use as selective 5-HT-1 receptor agonists MERCK SHARP & DOHME LTD. (GB) 1997-06-11 EP disclosed
US-5602163-A SELECTIVE AGONISTS OF 5-HYDROXYTRYPTAMINE RECEPTORS; USEFUL IN TREATMENT OF MIGRAINE HEADACHES MERCK, SHARP & DOHME LTD. (GB) 1997-02-11 US disclosed
US-5602162-A TREATMENT AND/OR PREVENTION OF MIGRAINE MERCK, SHARP & DOHME LTD. (GB) 1997-02-11 US disclosed
US-5451588-A Treatment of migraines MERCK SHARP & DOHME LTD. (GB) 1995-09-19 US disclosed
EP-0630374-A1 IMIDAZOLE, TRIAZOLE AND TETRAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1994-12-28 EP disclosed
US-5298520-A Triazole containing indole derivatives MERCK SHARP & DOHME LIMITED (GB) 1994-03-29 US disclosed
EP-0497512-A2 Imidazole, triazole and tetrazole derivatives MERCK SHARP & DOHME LTD. (GB) 1992-08-05 EP disclosed
US-4632934-A THROMBOXANE SYNTHETASE INHIBITORS KISSEI PHARMACEUTICAL CO., LTD. (JP) 1986-12-30 US 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-20120149706-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 TAAR1 2182/4885POLB 2292/4885MEN1 3545/4885
US-20120046290-A1 INHIBITION OF P38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS MAPK1, MAP3K1, MAP3K7 TAAR1 2182/4885POLB 2292/4885MEN1 3545/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 TAAR1 2463/4885POLB 2038/4885MEN1 4566/4885
US-20120129893-A1 Inhibition Of Raf Kinase Using Substituted Heterocyclic Ureas BRAF, RAF1, ARAF TAAR1 3382/4885POLB 2254/4885MEN1 2248/4885

“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.