SCHEMBL7428429

SCHEMBL7428429

Cc1nc2cc([N+](=O)[O-])ccc2c(=O)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.54
TNKS2 Q9H2K2 2/20 0.54
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
NPC1 O15118 1/20 0.54
USP2 O75604 1/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
MAPT P10636 1/20 0.54
HPGD P15428 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
TYMS P04818 1/20 0.49
GUSB P08236 2/20 0.49
TNKS O95271 1/20 0.49
NLRP3 Q96P20 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
CA12 O43570 1/20 0.49
CA9 Q16790 1/20 0.49
DAO P14920 1/20 0.47

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
SCHEMBL29839746 0.88 PARP1 (0.57) PARP1TNKS2ALDH1A1KDM4ENPC1
SCHEMBL2257236 0.88 PARP1 (0.57) PARP1TNKS2ALDH1A1KDM4ENPC1
SCHEMBL23576776 0.83 PARP1 (0.51) PARP1TNKS2ALDH1A1NPC1MAPT
SCHEMBL30013504 0.83 PARP1 (0.51) PARP1TNKS2ALDH1A1NPC1MAPT
SCHEMBL32666097 0.82 MAPT (0.53) PARP1TNKS2ALDH1A1MAPTSMN1; SMN2
SCHEMBL30289847 0.82 MAPT (0.64) PARP1ALDH1A1KDM4EMAPTRAB9A
SCHEMBL30368808 0.80 ALDH1A1 (0.51) PARP1TNKS2ALDH1A1SMN1; SMN2GUSB
SCHEMBL30186050 0.80 KDM4E (0.58) PARP1TNKS2ALDH1A1KDM4EMAPT
SCHEMBL21072215 0.80 KDM4E (0.58) PARP1TNKS2ALDH1A1KDM4EMAPT
SCHEMBL4328210 0.79 ALDH1A1 (0.58) ALDH1A1KDM4ENPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951029-B2 Styryl quinazoline derivatives as pharmaceutically active agents VICHEM CHEMIE KUTATÓ KFT. (HU) 2018-04-24 US disclosed
US-20160194291-A1 STYRYL QUINAZOLINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE AGENTS VICHEM CHEMIE KUTATÓ KFT. (HU) 2016-07-07 US disclosed
US-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed
EP-1071669-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT Boehringer Ingelheim Pharma KG (DE) 2001-01-31 EP disclosed
WO-1999054313-A1 BICYCLIC COMPOUNDS HAVING AN ANTI-THROMBITIC EFFECT BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-10-28 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-20160194291-A1 STYRYL QUINAZOLINE DERIVATIVES AS PHARMACEUTICALLY ACTIVE AGENTS FLT3, BCR, STK3 PARP1 1606/4885TNKS2 1629/4885ALDH1A1 2661/4885

“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.