SCHEMBL899185

SCHEMBL899185

Cc1cc([N+](=O)[O-])cc(Cl)[n+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
ALDH1A1 P00352 6/20 0.45
HTT P42858 4/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
S1PR4 O95977 1/20 0.40
MAPT P10636 1/20 0.40
S1PR1 P21453 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
GPR35 Q9HC97 2/20 0.38
ACHE P22303 2/20 0.38
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL9252026 0.86 ALDH1A1 (0.54) TSHRALDH1A1HTTCYP19A1KDM4E
SCHEMBL589656 0.86 TSHR (0.56) TSHRALDH1A1HTTCYP19A1KDM4E
SCHEMBL11614422 0.77 TSHR (0.47) TSHRALDH1A1HTTCYP19A1KDM4E
SCHEMBL942208 0.77 TSHR (0.47) TSHRALDH1A1HTTCYP19A1KDM4E
SCHEMBL11842588 0.77 HTT (0.44) TSHRALDH1A1HTTCYP19A1MAPT
SCHEMBL11849554 0.77 ALDH1A1 (0.41) TSHRALDH1A1HTTCYP19A1MAPT
SCHEMBL11849750 0.77 HTT (0.43) TSHRALDH1A1HTTCYP19A1NPC1
Hydrochloric Acid SCHEMBL11609946 0.76 TSHR (0.45) TSHRALDH1A1HTTCYP19A1KDM4E
SCHEMBL3560709 0.74 HTT (0.46) TSHRALDH1A1HTTCYP19A1KDM4E
SCHEMBL11613442 0.74 TSHR (0.44) TSHRALDH1A1HTTCYP19A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621903-B1 N-HETEROARYL COMPOUNDS INTERVET INT BV (NL) 2017-03-01 EP disclosed
US-8877934-B2 N-heteroaryl compounds INTERVET INC. (US) 2014-11-04 US 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
EP-2621903-A1 N-HETEROARYL COMPOUNDS Intervet International B.V. (NL) 2013-08-07 EP disclosed
US-20130196993-A1 N-HETEROARYL COMPOUNDS INTERVET INC. 2013-08-01 US disclosed
US-8329722-B2 Inhibitors of janus kinases and/or 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2012-12-11 US disclosed
US-8329722-B2 Inhibitors of janus kinases and/or 3-phosphoinositide-dependent protein kinase-1 MERCK SHARP & DOHME CORP. (US) 2012-12-11 US disclosed
WO-2012041873-A1 N-HETEROARYL COMPOUNDS INTERVET INTERNATIONAL B.V. (NL) 2012-04-05 WO disclosed
EP-2134346-B1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK SHARP & DOHME (US) 2011-09-21 EP disclosed
EP-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 WO disclosed
WO-2008112217-A1 INHIBITORS OF JANUS KINASES AND/OR 3-PHOSPHOINOSITIDE-DEPENDENT PROTEIN KINASE-1 MERCK & CO., INC. (US) 2008-09-18 WO disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed
US-6610853-B1 N-(phenylsulfonyl)picolinamide derivatives, process for producing the same, and herbicide KUREHA KAGAKU KOGYO K.K. (JP) 2003-08-26 US disclosed
EP-1069112-A1 N-(PHENYLSULFONYL) PICOLINAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND HERBICIDE KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 2001-01-17 EP disclosed
US-4122264-A Pyridine containing morpholines THE UPJOHN COMPANY (US) 1978-10-24 US disclosed
US-4115396-A HYPOTENSIVE AGENTS THE UPJOHN COMPANY (US) 1978-09-19 US disclosed
US-4067874-A Novel pyridine 1-oxides THE UPJOHN COMPANY (US) 1978-01-10 US disclosed
US-3995035-A 6-Amino-2-lower-alkyl-4-nitropyridine N-oxide compositions and coccidiostat process THE UPJOHN COMPANY (US) 1976-11-30 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 (1 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-20130196993-A1 N-HETEROARYL COMPOUNDS HNMT, SQLE, PIGO TSHR 4440/4885ALDH1A1 1345/4885HTT 70/4885

“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.