SCHEMBL2816746

SCHEMBL2816746

COc1ccc2c(c1)c(C(=O)O)nn2CC(C)(C(N)=O)c1ccc(NC(=O)c2ccc(OC)c(OC)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PLAU P00749 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
ROCK1 Q13464 1/20 0.42
MAPT P10636 3/20 0.42
PKM P14618 2/20 0.42
CYP2C9 P11712 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.40
KDM4E B2RXH2 1/20 0.40
CPT1A P50416 2/20 0.40
CPT1B Q92523 1/20 0.40
NR1I2 O75469 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL2819890 0.82 ROCK1 (0.46) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL4442283 0.80 KMT2A (0.47) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL4556320 0.80 FLT3 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL2815481 0.79 ROCK1 (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL4442227 0.79 KMT2A (0.46) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL2818031 0.79 ROCK1 (0.46) NPC1ALDH1A1RAB9ASMN1; SMN2KMT2A
SCHEMBL2820329 0.74 KMT2A (0.57) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL4556255 0.74 MAOB (0.44) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL2866708 0.73 KMT2A (0.45) NPC1ALDH1A1TP53RAB9ASMN1; SMN2
SCHEMBL17437919 0.72 ROCK1 (0.49) ALDH1A1RAB9ASMN1; SMN2KMT2AMEN1

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 3 patents. 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
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO 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 3400/4885ALDH1A1 1769/4885TP53 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.