SCHEMBL3697146

SCHEMBL3697146

O=C(CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1Cc1ccncc1)NCCCn1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
PKM P14618 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40

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
SCHEMBL3704211 0.90 SMN1; SMN2 (0.44) KDM4EALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL3699318 0.87 MAPT (0.42) KDM4EALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL9102425 0.86 MAPT (0.44) KDM4EALDH1A1SMN1; SMN2CYP1A2CYP3A4
SCHEMBL9107398 0.86 KMT2A (0.40) KDM4EALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL9102458 0.83 MAPT (0.42) KDM4EALDH1A1POLBMAPTLMNA
SCHEMBL3704087 0.82 TAAR1 (0.44) KDM4EALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL9103931 0.82 ITGB2 (0.44) ALDH1A1SMN1; SMN2PKMCYP1A2CYP3A4
SCHEMBL3700824 0.82 ITGB2 (0.37) KDM4EALDH1A1SMN1; SMN2PKMCYP1A2
SCHEMBL3698675 0.82 ALDH1A1 (0.47) KDM4EALDH1A1CYP3A4MAPTLMNA
SCHEMBL9105229 0.82 ITGB2 (0.39) KDM4EALDH1A1SMN1; SMN2PKMCYP1A2

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 3 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
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

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 KDM4E 3196/4885ALDH1A1 701/4885SMN1; SMN2 2020/4885

“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.