SCHEMBL2818031

SCHEMBL2818031

COc1ccc(C(=O)Nc2ccc(C(C)(Cn3nc(C(=O)O)c4ccccc43)C(N)=O)c(Cl)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.46
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 2/20 0.42
NQO2 P16083 1/20 0.42
CASP3 P42574 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
CPT1A P50416 4/20 0.42
CPT1B Q92523 3/20 0.42
MAPT P10636 5/20 0.41
POLB P06746 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
CPT2 P23786 1/20 0.41
PDE4D Q08499 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2815481 0.92 ROCK1 (0.47) ROCK1KMT2AMEN1RAB9ANPC1
SCHEMBL27775769 0.91 ROCK1 (0.47) ROCK1KMT2AMEN1RAB9ANPC1
SCHEMBL2819890 0.87 ROCK1 (0.46) ROCK1KMT2AMEN1RAB9ANPC1
SCHEMBL2813669 0.79 CYP1A2 (0.47) KMT2AMEN1MAPTPOLB
SCHEMBL2816746 0.79 NPC1 (0.45) ROCK1KMT2AMEN1RAB9ANPC1
SCHEMBL2816699 0.77 CPT1A (0.45) KMT2AMEN1RAB9ANPC1NQO2
SCHEMBL2817667 0.75 CYP1A2 (0.44) KMT2AMEN1MAPTPOLBSMN1; SMN2
SCHEMBL2816707 0.74 NPC1 (0.55) KMT2AMEN1RAB9ANPC1NQO2
SCHEMBL4441630 0.73 CPT1A (0.47) KMT2AMEN1RAB9ANPC1NQO2
SCHEMBL2816711 0.72 NPC1 (0.53) KMT2AMEN1RAB9ANPC1NQO2

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 2031/4885KMT2A 1767/4885MEN1 150/4885

“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.