SCHEMBL2816744

SCHEMBL2816744

COc1ccc2[nH]nc(C(=O)NCC(C)(C)c3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.49
CDK2 P24941 2/20 0.47
FLT3 P36888 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 5/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PLAU P00749 1/20 0.46
LMNA P02545 1/20 0.45
PKM P14618 1/20 0.44
NAMPT P43490 1/20 0.44
CYP2C9 P11712 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
DYRK3 O43781 1/20 0.43
MAP4K4 O95819 1/20 0.43

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
SCHEMBL4555728 0.90 FLT3 (0.55) CDK2FLT3ALDH1A1NPC1SMN1; SMN2
SCHEMBL2819888 0.81 FLT3 (0.54) CDK2FLT3ALDH1A1NPC1SMN1; SMN2
SCHEMBL27776125 0.80 NTRK1 (0.50) ALDH1A1MEN1KMT2APKMNAMPT
SCHEMBL28782786 0.80 NTRK1 (0.48) ROCK1ALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL4556320 0.79 FLT3 (0.46) ROCK1CDK2FLT3ALDH1A1NPC1
SCHEMBL2815480 0.78 NTRK1 (0.53) CDK2FLT3ALDH1A1NPC1RAB9A
SCHEMBL27796823 0.78 NTRK1 (0.62) CDK2FLT3ALDH1A1NPC1RAB9A
SCHEMBL4442225 0.78 SMN1; SMN2 (0.54) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL2813712 0.78 KMT2A (0.67) ALDH1A1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL2818030 0.78 NTRK1 (0.52) CDK2FLT3ALDH1A1NPC1RAB9A

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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2010-09-30 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-20100249123-A1 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE FSHR, GNRHR, SHBG ROCK1 2031/4885CDK2 236/4885FLT3 551/4885

“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.