SCHEMBL4155072

SCHEMBL4155072

NC(=O)c1ccc(Oc2ccc(F)cc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICAM1 P05362 1/20 0.49
SELE P16581 1/20 0.49
SCN9A Q15858 6/20 0.43
SCN4A P35499 2/20 0.43
F2 P00734 2/20 0.43
PARP10 Q53GL7 3/20 0.41
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP16 Q8N5Y8 1/20 0.40
PARP11 Q9NR21 1/20 0.40
PARP4 Q9UKK3 1/20 0.40
GAA P10253 1/20 0.40
MAOB P27338 1/20 0.40
SOS1 Q07889 1/20 0.39
PLG P00747 1/20 0.38
PRSS1 P07477 1/20 0.38
PRSS2 P07478 1/20 0.38
PRSS3 P35030 1/20 0.38

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
SCHEMBL4159295 0.83 IKBKB (0.54) ICAM1SELEF2PARP10ALDH1A1
SCHEMBL4144009 0.83 PARP10 (0.50) ICAM1SELEF2PARP10ALDH1A1
SCHEMBL4963716 0.83 LTA4H (0.55) ALDH1A1KMT2AKCNH2
SCHEMBL4148474 0.81 CDK1 (0.54) ICAM1SELEF2PARP10KMT2A
SCHEMBL4964117 0.81 PARP10 (0.57) ICAM1SELESCN9ASCN4AF2
SCHEMBL4155391 0.78 PARP10 (0.53) ICAM1SELEF2PARP10ALDH1A1
SCHEMBL4161369 0.73 CYP3A4 (0.42) ICAM1SELEF2PARP10PARP15
SCHEMBL14132132 0.73 HRH3 (0.47)
SCHEMBL8474554 0.73 GAA (0.46) ICAM1SELESCN9ASCN4AALDH1A1
SCHEMBL4155387 0.72 ICAM1 (0.54) ICAM1SELEF2PARP10ALDH1A1

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 ICAM1 4352/4885SELE 3545/4885SCN9A 4238/4885
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 ICAM1 4405/4885SELE 4499/4885SCN9A 4616/4885

“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.