SCHEMBL30070801

SCHEMBL30070801

N#Cc1ccc(C(=O)NC2(c3ccc(-c4cnc(C(F)(F)F)cc4C(F)(F)F)cc3)CCC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FASN P49327 1/20 0.43
MAP4K4 O95819 2/20 0.41
MINK1 Q8N4C8 2/20 0.41
TNIK Q9UKE5 2/20 0.41
TRPV1 Q8NER1 1/20 0.41
EGLN1 Q9GZT9 8/20 0.40
CYP2C9 P11712 2/20 0.40
IDO1 P14902 2/20 0.40
PDE2A O00408 4/20 0.40
DEGS1 O15121 1/20 0.39
CXCR3 P49682 1/20 0.39

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
SCHEMBL22438754 1.00 FASN (0.43) FASNMAP4K4MINK1TNIKTRPV1
SCHEMBL22438817 0.92 EGLN1 (0.41) FASNMAP4K4MINK1TNIKTRPV1
SCHEMBL23908259 0.90 IDO1 (0.45) FASNMAP4K4MINK1TNIKEGLN1
SCHEMBL22438887 0.89 CYP2C9 (0.53) FASNMAP4K4MINK1TNIKEGLN1
SCHEMBL22438916 0.88 ROCK2 (0.47) FASNMAP4K4MINK1TNIKEGLN1
SCHEMBL22438713 0.88 EGLN1 (0.43) FASNMAP4K4MINK1TNIKTRPV1
SCHEMBL22438582 0.88 CXCR3 (0.43) FASNMAP4K4MINK1TNIKTRPV1
SCHEMBL22685245 0.86 MAP4K4 (0.41) FASNMAP4K4MINK1TNIKTRPV1
SCHEMBL22438830 0.82 IDO1 (0.59) CYP2C9IDO1PDE2A
SCHEMBL22685073 0.80 IDO1 (0.41) MAP4K4MINK1TNIKTRPV1EGLN1

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-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors MERCK SHARP & DOHME LLC (US) 2022-11-15 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-11498904-B2 Substituted biaryl compounds as indoleamine 2,3-dioxygenase (IDO) inhibitors IDO1, IDO2, INMT FASN 1115/4885MAP4K4 3403/4885MINK1 1312/4885

“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.