SCHEMBL3704087

SCHEMBL3704087

O=C(CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1Cc1ccncc1)NCCc1ccc(Cl)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 1/20 0.39
P2RX7 Q99572 2/20 0.39
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
CNR1 P21554 1/20 0.37
GAA P10253 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL9102425 0.92 MAPT (0.44) ALDH1A1KDM4EMAPTSMN1; SMN2ITGB2
SCHEMBL3701945 0.91 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDP2RX7MAPT
SCHEMBL9102458 0.89 MAPT (0.42) ALDH1A1KDM4EMAPTITGB2ICAM1
SCHEMBL3702498 0.87 HPGD (0.39) TAAR1ALDH1A1KDM4EHPGDMAPT
SCHEMBL3698682 0.86 BCHE (0.46) ALDH1A1HDAC8NPC1RAB9A
SCHEMBL3702975 0.85 HPGD (0.44) TAAR1ALDH1A1KDM4EHPGDP2RX7
SCHEMBL9103931 0.84 ITGB2 (0.44) ALDH1A1MAPTSMN1; SMN2ITGB2ICAM1
SCHEMBL3698675 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDP2RX7MAPT
SCHEMBL3700824 0.84 ITGB2 (0.37) ALDH1A1KDM4EMAPTSMN1; SMN2ITGB2
SCHEMBL9105229 0.84 ITGB2 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2ITGB2

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-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

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 TAAR1 4146/4885ALDH1A1 701/4885KDM4E 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.