SCHEMBL6487241

SCHEMBL6487241

CCOc1ccc([N+](=O)[O-])cc1C(=O)Cl

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
POLB P06746 3/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 2/20 0.48
TP53 P04637 1/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPBWR1 P48145 1/20 0.45
MCHR1 Q99705 1/20 0.45
RAB9A P51151 1/20 0.45
NPC1 O15118 1/20 0.45
TAAR1 Q96RJ0 1/20 0.44
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6481916 0.89 CYP19A1 (0.51) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL22660904 0.88 MAPT (0.57) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL5016734 0.87 CYP3A4 (0.54) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL18113435 0.87 HTT (0.57) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL15486428 0.85 POLB (0.54) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL27545224 0.85 CYSLTR2 (0.55) NPSR1MAPTALDH1A1KMT2ALMNA
SCHEMBL16958111 0.85 MAPT (0.52) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL730095 0.84 ALDH1A1 (0.54) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL12236634 0.84 SMN1; SMN2 (0.59) NPSR1KDM4EMAPTALDH1A1KMT2A
SCHEMBL3888450 0.83 TDP1 (0.57) MAPTKMT2ALMNAPOLBMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962911-B2 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2005-11-08 US disclosed
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed
US-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2003-09-11 US disclosed
EP-1257553-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK Chemicals Co., Ltd. (KR) 2002-11-20 EP disclosed
WO-2001060825-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO., LTD. (KR) 2001-08-23 WO disclosed
EP-0636626-A1 Pyrazolopyrimidine Derivatives LABORATOIRES GLAXO SA (FR) 1995-02-01 EP disclosed
EP-0237929-A1 3,5-Disubstituted pyrocatechol derivatives F. HOFFMANN-LA ROCHE AG (CH) 1987-09-23 EP disclosed
US-4052444-A DIAZO COUPLERS FOR MONOAZO DYES HOECHST AKTIENGESELLSCHAFT (DT) 1977-10-04 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-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use CYP2C19, DHPS, SDHA NPSR1 2040/4885KDM4E 1887/4885MAPT 1845/4885

“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.