SCHEMBL4043784

SCHEMBL4043784

CC(=O)Nc1cccc(-c2ccc(OC(F)(F)F)c(C(=O)O)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KCNK3 O14649 4/20 0.49
KCNK9 Q9NPC2 4/20 0.49
SYK P43405 2/20 0.47
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
BRAF P15056 1/20 0.47
MPO P05164 1/20 0.46
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
DHODH Q02127 1/20 0.46
CFD P00746 1/20 0.46
AAK1 Q2M2I8 2/20 0.45
F2R P25116 1/20 0.45
FYN P06241 1/20 0.45

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
SCHEMBL3946710 0.89 HTT (0.50) L3MBTL1SYKSMN1; SMN2DHODHCFD
SCHEMBL4042656 0.84 PTPN11 (0.51) KCNK3KCNK9SYKCFD
SCHEMBL4040652 0.83 KIF11 (0.55) HSD17B1HSD17B2
SCHEMBL4026660 0.82 ACMSD (0.55) KCNK3KCNK9DHODHCFD
SCHEMBL4613725 0.81 CREBBP (0.55) NQO2KCNK3KCNK9NPC1TSHR
SCHEMBL3943766 0.80 SYK (0.48) SYKCFD
SCHEMBL4601420 0.80 PTPN11 (0.59) NQO2NPC1TSHRRAB9ASMN1; SMN2
SCHEMBL3944255 0.79 ACMSD (0.45) HSD17B1HSD17B2DHODHCFD
SCHEMBL3936487 0.79 DCLRE1B (0.51) DHODHCFD
SCHEMBL14003438 0.79 HSD17B10 (0.52) NQO2L3MBTL1KCNK3KCNK9SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US claimed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP claimed
US-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES BAYER SCHERING PHARMA AG (DE) 2009-03-12 US disclosed
EP-2020404-A1 Cyanomethyl substituted N-Acyl Tryptamines Bayer Schering Pharma Aktiengesellschaft (DE) 2009-02-04 EP 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-20090069321-A1 CYANOMETHYL SUBSTITUTED N-ACYL TRYPTAMINES FSHR, GNRHR, HNMT NQO2 142/4885L3MBTL1 1818/4885KCNK3 619/4885

“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.