SCHEMBL6495258

SCHEMBL6495258

Cc1ccc(C(=O)Nc2ccc(NCCc3ccccn3)nc2)c(-c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.48
MTTP P55157 2/20 0.44
APOB P04114 1/20 0.44
NR3C1 P04150 2/20 0.43
CTNNB1 P35222 1/20 0.43
TCF7L2 Q9NQB0 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
TRPV1 Q8NER1 4/20 0.41
GCGR P47871 1/20 0.41
LCK P06239 1/20 0.40
LYN P07948 1/20 0.40
HCK P08631 1/20 0.40
SRC P12931 1/20 0.40
KDR P35968 1/20 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
SCHEMBL6488178 0.92 SMO (0.52) SMOMTTPAPOBNR3C1CTNNB1
SCHEMBL6795426 0.90 SMO (0.56) SMOMTTPAPOBNR3C1NPC1
SCHEMBL6489345 0.89 GCGR (0.51) NR3C1CTNNB1TCF7L2NPC1RAB9A
SCHEMBL6501149 0.86 TRPV1 (0.50) SMOMTTPAPOBNPC1RAB9A
SCHEMBL6802784 0.85 SMO (0.51) SMOMTTPAPOBNR3C1CTNNB1
SCHEMBL6497088 0.85 HTR2C (0.51) SMOMTTPAPOBNR3C1NPC1
SCHEMBL6487848 0.85 SMO (0.46) SMOMTTPAPOBNPC1RAB9A
SCHEMBL6502553 0.85 SMO (0.51) SMOMTTPAPOBNR3C1TRPV1
SCHEMBL6497909 0.85 SMO (0.52) SMOMTTPAPOBNR3C1CTNNB1
SCHEMBL6489227 0.84 CTNNB1 (0.48) CTNNB1TCF7L2NPC1RAB9AGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors DAISO CO., LTD. (JP) 2005-02-17 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-20050038035-A1 Heterocyclic amide compounds as apolipoprotein b inhibitors APOB, APOL1, CTRB2 SMO 2580/4885MTTP 677/4885APOB 1/4885

“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.