SCHEMBL3703486

SCHEMBL3703486

COc1ccc(CCNC(=O)CC2C(=O)N(CCc3ccccc3)CC(=O)N2CCc2cccs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.54
KMT2A Q03164 8/20 0.54
ALDH1A1 P00352 5/20 0.54
GAA P10253 3/20 0.54
HPGD P15428 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
MAPT P10636 6/20 0.49
RECQL P46063 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 2/20 0.46
POLB P06746 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
PKM P14618 1/20 0.45

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
SCHEMBL3704361 0.97 HPGD (0.56) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL3706430 0.94 MEN1 (0.53) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL3708113 0.93 HPGD (0.53) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL3702254 0.91 POLB (0.53) MEN1KMT2AALDH1A1GAALMNA
SCHEMBL3699488 0.90 MAPT (0.43) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL3699608 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3700558 0.90 MAPT (0.52) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3694344 0.88 MEN1 (0.51) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL3698197 0.88 HPGD (0.46) MEN1KMT2AALDH1A1GAAHPGD
SCHEMBL16743093 0.88 SMN1; SMN2 (0.43) MEN1KMT2AALDH1A1GAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-9040701-B2 Apaf-1 inhibitor compounds LABORATORIOS SALVAT, S.A. (ES) 2015-05-26 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 US disclosed
US-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS LABORATORIOS SALVAT, S.A. (ES) 2012-05-17 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-20120122868-A1 APAF-1 INHIBITOR COMPOUNDS APAF1, API5, AIFM1 MEN1 3731/4885KMT2A 4192/4885ALDH1A1 701/4885

“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.