SCHEMBL16767142

SCHEMBL16767142

O=C(Nc1ccc(C(F)(F)F)cc1)c1cn2cc(Br)ccc2n1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.54
MAP3K5 Q99683 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CYP2C9 P11712 1/20 0.46
NR4A2 P43354 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
CD38 P28907 1/20 0.45
ATF1 P18846 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL15176520 0.86 KMT2A (0.59) NPC1RAB9AMAPTMAPK1
SCHEMBL16762857 0.85 HTT (0.51) NPC1RAB9ASMN1; SMN2CYP2C9NR4A2
SCHEMBL3369722 0.83 RAB9A (0.68) MAP3K5NPC1RAB9ASMN1; SMN2CYP2C9
SCHEMBL16762991 0.82 METTL3 (0.48) MCHR1MAP3K5
SCHEMBL16762855 0.79 DGAT1 (0.54) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL15176541 0.79 NPC1 (0.46) MAP3K5NPC1RAB9ACYP2C9NR4A2
SCHEMBL16762864 0.79 DGAT1 (0.56) NPC1RAB9ASMN1; SMN2LMNAMAPT
SCHEMBL16762947 0.79 SMN1; SMN2 (0.50) MAP3K5NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL15176683 0.77 ALDH1A1 (0.53) NPC1RAB9ACYP2C9NR4A2LMNA
SCHEMBL16762742 0.76 EGLN1 (0.43) MAP3K5NPC1RAB9ASMN1; SMN2MAPT

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-9271969-B2 Compounds as inhibitors of diacylglycerol O-acyltransferase type 1 enzyme KAINOS MEDICINE, INC. (KR) 2016-03-01 US disclosed
US-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME KAINOS MEDICINE, INC. (KR) 2015-06-11 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-20150157611-A1 COMPOUNDS AS INHIBITORS OF DIACYLGLYCEROL O-ACYLTRANSFERASE TYPE I ENZYME DGAT1, DGAT2, SOAT1 MCHR1 4494/4885MAP3K5 2069/4885NPC1 118/4885

“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.