SCHEMBL2814575

SCHEMBL2814575

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3nn(C)cc3Br)cc2)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
TP53 P04637 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HSD17B10 Q99714 1/20 0.51
MEN1 O00255 7/20 0.48
KMT2A Q03164 7/20 0.48
MAPT P10636 6/20 0.48
HPGD P15428 1/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.46
PKM P14618 2/20 0.46
POLB P06746 3/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
PTPN1 P18031 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
SCHEMBL2817833 0.86 MEN1 (0.48) NPC1RAB9AKDM4EMEN1KMT2A
SCHEMBL2813712 0.80 KMT2A (0.67) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL2816819 0.80 MEN1 (0.63) NPC1RAB9ATP53KDM4EMEN1
SCHEMBL2815071 0.80 MEN1 (0.54) NPC1RAB9ATP53KDM4EMEN1
SCHEMBL2819556 0.80 MEN1 (0.56) NPC1RAB9ATP53KDM4EMEN1
SCHEMBL2815527 0.80 MEN1 (0.56) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL4440528 0.79 MAPT (0.50) NPC1RAB9AKDM4EHSD17B10MEN1
SCHEMBL2814955 0.79 ALDH1A1 (0.65) NPC1RAB9ATP53MEN1KMT2A
SCHEMBL2813743 0.79 MEN1 (0.53) NPC1RAB9ATP53KDM4EMEN1
SCHEMBL2814777 0.78 MEN1 (0.54) NPC1RAB9ATP53MEN1KMT2A

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 NPC1 3400/4885RAB9A 1404/4885TP53 3465/4885

“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.