SCHEMBL5877439

SCHEMBL5877439

COc1ccc(C2(c3ccccc3)C=Cc3c(C#N)n[nH]c3C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.36
OPRL1 P41146 4/20 0.36
MAT2A P31153 1/20 0.34
ALDH1A1 P00352 6/20 0.33
MAPT P10636 5/20 0.33
KDM4E B2RXH2 3/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
MEN1 O00255 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL5876607 0.95 ALPL (0.34) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL5877119 0.90 SHMT1 (0.38) OPRM1OPRL1MAPTGAAHPGD
SCHEMBL5877129 0.89 ERBB2 (0.33)
SCHEMBL6616435 0.87 NPC1 (0.34) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL5876406 0.87 ALDH1A1 (0.35) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL5876734 0.87 SHMT1 (0.39) OPRM1OPRL1MAPTGAAKMT2A
SCHEMBL5877379 0.85 ADORA1 (0.34) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL5877044 0.85 ERBB2 (0.33) ALDH1A1KDM4EHPGD
SCHEMBL5877051 0.84 OPRL1 (0.31) OPRL1
SCHEMBL5877383 0.84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7119115-B2 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2006-10-10 US disclosed
US-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology AVENTIS PHARMA S.A. (FR) 2004-08-19 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-20040162276-A1 Indazole or indole derivatives, and use thereof in human medicine and more particularly in oncology IDO1, IDO2, INMT OPRM1 1127/4885OPRL1 765/4885MAT2A 2369/4885

“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.