SCHEMBL23908967

SCHEMBL23908967

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C#N)c(OCC(F)F)cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
PGGT1B P53609 1/20 0.37
LMNA P02545 2/20 0.37
CYP2D6 P10635 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
KCNH2 Q12809 2/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB3 P13945 1/20 0.37
SLC6A2 P23975 1/20 0.37
CASR P41180 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL23909122 0.79 LMNA (0.41) MAOBLMNACYP2D6SLC6A4SLC6A3
SCHEMBL23909098 0.79 LMNA (0.41) MAOBLMNACYP2D6SLC6A4SLC6A3
SCHEMBL16194467 0.79 LMNA (0.41) MAOBFNTAFNTBPGGT1BLMNA
SCHEMBL30919183 0.74 AR (0.36) MAOBFNTAFNTBPGGT1BLMNA
SCHEMBL29903757 0.74 LMNA (0.41) LMNACYP2D6SLC6A4SLC6A3KCNH2
SCHEMBL26978071 0.74 LMNA (0.41) LMNACYP2D6SLC6A4SLC6A3KCNH2
SCHEMBL14894811 0.73 LMNA (0.39) MAOBLMNACYP2D6SLC6A4SLC6A3
SCHEMBL14894809 0.73 LMNA (0.39) MAOBLMNACYP2D6SLC6A4SLC6A3
SCHEMBL27451579 0.73 LMNA (0.38) LMNACYP2D6SLC6A4SLC6A3KCNH2
SCHEMBL22491118 0.72 PIK3CD (0.39) LMNACYP2D6SLC6A4SLC6A3KCNH2

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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 MAOB 1746/4885FNTA 975/4885FNTB 1049/4885

“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.