SCHEMBL3700942

SCHEMBL3700942

CCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CC1C(=O)N(CCc2ccc(OC)cc2)CC(=O)N1CCc1cccs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RECQL P46063 1/20 0.38
APAF1 O14727 3/20 0.38
CASP3 P42574 3/20 0.38
CASP9 P55211 3/20 0.38
CYCS P99999 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36

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
SCHEMBL5955662 0.94 MAPT (0.38) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3709609 0.94 APAF1 (0.41) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL3703380 0.94 SMN1; SMN2 (0.43) ALDH1A1MAPTSMN1; SMN2GAARAB9A
SCHEMBL3694367 0.93 APAF1 (0.44) ALDH1A1MAPTSMN1; SMN2RAB9AKDM4E
SCHEMBL3698005 0.93 MEN1 (0.36) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3701050 0.93 HTR6 (0.40) ALDH1A1MEN1KMT2AMAPTGAA
SCHEMBL5956267 0.91 KMT2A (0.39) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3702324 0.91 SMN1; SMN2 (0.41) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL3704434 0.91 APAF1 (0.41) ALDH1A1MEN1KMT2AMAPTRECQL
SCHEMBL3707256 0.90 MEN1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2

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 ALDH1A1 701/4885MEN1 3731/4885KMT2A 4192/4885

“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.