SCHEMBL4159536

SCHEMBL4159536

NC(=O)c1ccc(Cc2cccc(F)c2)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
PARP10 Q53GL7 1/20 0.45
GPR52 Q9Y2T5 1/20 0.45
PARP1 P09874 1/20 0.44
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
MAPK8 P45983 1/20 0.43
NR3C2 P08235 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
SLC1A1 P43005 2/20 0.40
CDK1 P06493 2/20 0.40
PIM1 P11309 2/20 0.40
PRKACA P17612 2/20 0.40
CDK2 P24941 2/20 0.40
FLT4 P35916 2/20 0.40
KDR P35968 2/20 0.40
CSNK1D P48730 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
RPS6KA3 P51812 2/20 0.40

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
SCHEMBL7829802 0.85 MAOB (0.45) MAOBGPR52RAB9AHCAR2TAAR1
SCHEMBL4156358 0.82 HTT (0.49) GPR52PARP1RAB9AHTTMAPK8
SCHEMBL4158801 0.81 ALOX5 (0.51) RAB9AHTTMAPK1F2
SCHEMBL7828973 0.80 ERCC5 (0.50) RAB9AHCAR2MAPK1
SCHEMBL4670644 0.79 HCAR2 (0.39) GPR52RAB9AHCAR2SLC1A1GSK3B
SCHEMBL4670641 0.79 HCAR2 (0.39) GPR52RAB9AHCAR2SLC1A1GSK3B
SCHEMBL1680878 0.76 TAAR1 (0.50) MAOBTAAR1IDO1AGXT
SCHEMBL27946822 0.76 GPR52 (0.50) MAOBPARP10GPR52PARP1MAPK8
SCHEMBL7829382 0.74 PDE3B (0.42) MAPK1
SCHEMBL7825397 0.73 TAAR1 (0.42) MAOBHCAR2TAAR1IDO1AGXT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MAOB 2220/4885PARP10 796/4885GPR52 2499/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 MAOB 1205/4885PARP10 3140/4885GPR52 3233/4885

“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.