SCHEMBL4158801

SCHEMBL4158801

NC(=O)c1ccc(Cc2ccccc2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
PLA2G10 O15496 1/20 0.50
PLA2G2A P14555 1/20 0.50
F2 P00734 1/20 0.46
ALDH1A1 P00352 8/20 0.45
HPGD P15428 6/20 0.45
MAPT P10636 6/20 0.45
ALOX15 P16050 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
HSD17B10 Q99714 2/20 0.45
RECQL P46063 2/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 5/20 0.44
LMNA P02545 4/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 2/20 0.44
MAPK10 P53779 1/20 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
SCHEMBL11437319 0.86 ALOX5 (0.49) ALOX5PLA2G10PLA2G2AALDH1A1HPGD
SCHEMBL4675103 0.85 ALOX5 (0.47) ALOX5ALDH1A1HPGDMAPTKMT2A
SCHEMBL24573223 0.85 PLA2G10 (0.46) ALOX5PLA2G10PLA2G2AF2ALDH1A1
SCHEMBL6356334 0.83 ALOX5 (0.46) ALOX5PLA2G10PLA2G2AALDH1A1HPGD
SCHEMBL11431832 0.82 ALOX5 (0.44) ALOX5PLA2G10PLA2G2AALDH1A1HPGD
SCHEMBL29130679 0.82 ALOX5 (0.44) ALOX5PLA2G10PLA2G2AALDH1A1HPGD
SCHEMBL7077550 0.82 LMNA (0.51) ALOX5ALDH1A1HPGDMAPTNPSR1
SCHEMBL4156358 0.81 HTT (0.49) F2ALDH1A1HPGDMAPTRECQL
SCHEMBL4159536 0.81 MAOB (0.45) F2RAB9AHTTMAPK1
SCHEMBL11433089 0.81 ALOX5 (0.43) ALOX5PLA2G10PLA2G2AALDH1A1HPGD

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
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 EP disclosed
US-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-09-10 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 US disclosed
EP-1782811-A1 NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND Eisai R&D Management Co., Ltd. (JP) 2007-05-09 EP disclosed
EP-1669348-A1 NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND Eisai Co., Ltd. (JP) 2006-06-14 EP 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 (2 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-20090227799-A1 Novel Antimalarial Agent Containing Heterocyclic Compound XPO1, THPO, G6PD ALOX5 2648/4885PLA2G10 1159/4885PLA2G2A 1246/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 ALOX5 2496/4885PLA2G10 2618/4885PLA2G2A 3424/4885

“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.