SCHEMBL3587344

SCHEMBL3587344

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MAPT P10636 4/20 0.56
NPSR1 Q6W5P4 2/20 0.56
MAPK1 P28482 2/20 0.52
HTT P42858 1/20 0.50
PKM P14618 3/20 0.47
POLB P06746 3/20 0.47
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GALR2 O43603 1/20 0.46
MITF O75030 1/20 0.46
LMNA P02545 1/20 0.46
HSP90AA1 P07900 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
CCR6 P51684 1/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL14677034 0.88 KMT2A (0.66) KMT2AMAPTNPSR1MAPK1HTT
SCHEMBL30848946 0.88 KMT2A (0.66) KMT2AMAPTNPSR1MAPK1HTT
SCHEMBL13536801 0.87 NPSR1 (0.59) KMT2AMAPTNPSR1MAPK1HTT
SCHEMBL4852458 0.87 KMT2A (0.54) KMT2AMAPTNPSR1MAPK1HTT
SCHEMBL31287241 0.86 NPSR1 (0.58) KMT2AMAPTNPSR1MAPK1HTT
SCHEMBL22115089 0.86 HCAR3 (0.55) KMT2AMAPTMAPK1HTTPKM
SCHEMBL16412465 0.84 LMNA (0.54) KMT2AMAPTMAPK1PKMNPC1
SCHEMBL29875607 0.84 LMNA (0.54) KMT2AMAPTMAPK1PKMNPC1
SCHEMBL11539572 0.83 MAPT (0.61) KMT2AMAPTNPSR1MAPK1HTT
SCHEMBL3850700 0.83 KMT2A (0.65) KMT2AMAPTNPSR1MAPK1HTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020119606-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FIBROBLAST GROWTH FACTOR RECEPTOR GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2020-06-18 WO disclosed
EP-2081937-B1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS INC (US) 2012-09-12 EP disclosed
US-8071581-B2 Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2011-12-06 US disclosed
US-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. 2010-05-13 US disclosed
CN-101558070-A Triazolopyridazine protein kinase modulators SGX PHARMACEUTICALS INC (US) 2009-10-14 CN disclosed
EP-2081937-A2 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2009-07-29 EP disclosed
WO-2008051805-A2 TRIAZOLO-PYRIDAZINE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2008-05-02 WO disclosed
US-7112553-B1 Pesticidal indazole or benzotriazole derivatives SYNGENTA LIMITED (GB) 2006-09-26 US disclosed
EP-1171437-B1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LTD (GB) 2003-10-08 EP disclosed
EP-1171437-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES Syngenta Limited (GB) 2002-01-16 EP disclosed
WO-2000063207-A1 PESTICIDAL INDAZOLE OR BENZOTRIAZOLE DERIVATIVES SYNGENTA LIMITED (GB) 2000-10-26 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 (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-20100120739-A1 TRIAZOLOPYRIDAZINE PROTEIN KINASE MODULATORS MAP4K5, MAPKAPK5, MAP4K2 KMT2A 2534/4885MAPT 3032/4885NPSR1 3092/4885

“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.