SCHEMBL2815481

SCHEMBL2815481

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.47
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NQO2 P16083 1/20 0.43
CASP3 P42574 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
MAPT P10636 10/20 0.42
POLB P06746 8/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 2/20 0.41
RECQL P46063 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
NR1H4 Q96RI1 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
SCHEMBL2818031 0.92 ROCK1 (0.46) ROCK1MEN1KMT2ARAB9ANPC1
SCHEMBL2819890 0.87 ROCK1 (0.46) ROCK1MEN1KMT2ARAB9ANPC1
SCHEMBL27775769 0.83 ROCK1 (0.47) ROCK1MEN1KMT2ARAB9ANPC1
SCHEMBL2816746 0.79 NPC1 (0.45) ROCK1MEN1KMT2ARAB9ANPC1
SCHEMBL2818047 0.76 LCK (0.45) ROCK1MEN1KMT2ARAB9ANPC1
SCHEMBL4555774 0.75 NTRK1 (0.51) ROCK1MEN1KMT2ARAB9ANPC1
SCHEMBL4555775 0.74 NTRK1 (0.51) ROCK1MEN1KMT2ARAB9ANPC1
SCHEMBL2819798 0.73 RAB9A (0.56) MEN1KMT2ARAB9ANPC1NQO2
SCHEMBL4442283 0.72 KMT2A (0.47) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL2816881 0.72 RAB9A (0.54) MEN1KMT2ARAB9ANPC1NQO2

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 2031/4885MEN1 150/4885KMT2A 1767/4885

“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.