SCHEMBL3230458

SCHEMBL3230458

COC(=O)C(CCC1CCCN1C)c1ccc(C=CC(=O)N(NC(=O)OC(C)(C)C)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BCL9 O00512 1/20 0.38
CTNNB1 P35222 1/20 0.38
CHRM3 P20309 9/20 0.38
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
GMNN O75496 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPM8 Q7Z2W7 2/20 0.37
ACKR3 P25106 1/20 0.37
STAT6 P42226 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35

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
SCHEMBL3226412 0.94 BCL9 (0.39) BCL9CTNNB1CHRM3CYP3A4SMN1; SMN2
SCHEMBL3226499 0.84 TRPM8 (0.36) KMT2ATRPM8STAT6NR1H4
SCHEMBL3230462 0.82 CHRM3 (0.44) CHRM3
SCHEMBL1966327 0.82 CHRM3 (0.44) CHRM3
SCHEMBL1968042 0.81 TRPM8 (0.41) LMNATRPM8NR1H4
SCHEMBL3229865 0.79 PPARG (0.37) KMT2ATRPM8NR1H4
SCHEMBL1119726 0.78 TRPM8 (0.41) BCL9CTNNB1SMN1; SMN2MEN1LMNA
SCHEMBL1119874 0.77 TRPM8 (0.44) MEN1LMNAKMT2ATRPM8NR1H4
SCHEMBL1120016 0.77 TRPM8 (0.38) MEN1LMNAKMT2ATRPM8NR1H4
SCHEMBL1968700 0.77 CHRM3 (0.45) CHRM3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202866-B2 Ortho-aminoanilides for the treatment of cancer HOFFMANN-LA ROCHE INC. (US) 2012-06-19 US disclosed
US-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE, INC. 2010-03-18 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-20100069328-A1 NOVEL ORTHO-AMINOANILIDES FOR THE TREATMENT OF CANCER IL4I1, MKI67, ABL1 BCL9 750/4885CTNNB1 2957/4885CHRM3 2915/4885

“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.