SCHEMBL3703933

SCHEMBL3703933

CCOC(=O)CN(CCc1ccc([N+](=O)[O-])cc1)C(=O)CC1C(=O)N(CCc2ccc(OC)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
RECQL P46063 1/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 2/20 0.38
KCNJ1 P48048 2/20 0.37
KCNH2 Q12809 2/20 0.37
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36
APAF1 O14727 3/20 0.36
CASP3 P42574 3/20 0.36
CASP9 P55211 3/20 0.36
CYCS P99999 3/20 0.36
OPRM1 P35372 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
SCHEMBL3699396 0.95 APAF1 (0.38) MEN1KMT2ARECQLALDH1A1SMN1; SMN2
SCHEMBL3697136 0.94 ATM (0.41) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL3707256 0.94 MEN1 (0.44) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL3699253 0.93 APAF1 (0.35) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL5955628 0.92 MEN1 (0.42) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL3807957 0.92 MEN1 (0.44) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL3710594 0.91 MEN1 (0.42) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL3697135 0.91 APAF1 (0.43) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL3699334 0.91 APAF1 (0.43) MEN1KMT2ARECQLALDH1A1GAA
SCHEMBL3697619 0.90 MEN1 (0.43) MEN1KMT2ARECQLALDH1A1GAA

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 5 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
EP-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP 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 4192/4885RECQL 2303/4885

“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.