SCHEMBL3703380

SCHEMBL3703380

CCOC(=O)CN(CCc1c[nH]c2ccccc12)C(=O)CC1C(=O)N(CCc2cccs2)CC(=O)N1CCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
APAF1 O14727 3/20 0.42
CASP3 P42574 3/20 0.42
CASP9 P55211 3/20 0.42
CYCS P99999 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.39
PKM P14618 1/20 0.39
TNKS O95271 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
SNCA P37840 1/20 0.38

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
SCHEMBL3709609 0.97 APAF1 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL3702324 0.96 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL3694367 0.94 APAF1 (0.44) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL3694645 0.94 SMN1; SMN2 (0.38) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL3700942 0.94 ALDH1A1 (0.39) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL3693158 0.93 APAF1 (0.54) SMN1; SMN2MAPTKDM4EALDH1A1RAB9A
SCHEMBL5956267 0.91 KMT2A (0.39) SMN1; SMN2MAPTALDH1A1APAF1CASP3
SCHEMBL3701050 0.89 HTR6 (0.40) MAPTALDH1A1APAF1CASP3CASP9
SCHEMBL5955662 0.88 MAPT (0.38) SMN1; SMN2MAPTALDH1A1APAF1CASP3
SCHEMBL3697227 0.88 KMT2A (0.38) SMN1; SMN2MAPTALDH1A1APAF1CASP3

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 SMN1; SMN2 2020/4885MAPT 4448/4885KDM4E 3196/4885

“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.