SCHEMBL3700824

SCHEMBL3700824

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 4/20 0.37
ICAM1 P05362 4/20 0.37
ITGAL P20701 4/20 0.37
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
HDAC1 Q13547 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 0.88 MAPT (0.44) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9103931 0.87 ITGB2 (0.44) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL3698675 0.86 ALDH1A1 (0.47) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9105229 0.86 ITGB2 (0.39) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9101222 0.86 ITGB2 (0.39) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL3701796 0.85 MEN1 (0.35) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9102458 0.85 MAPT (0.42) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL3697542 0.85 ITGB2 (0.40) ITGB2ICAM1ITGALMAPTALDH1A1
SCHEMBL9104342 0.84 MAPT (0.41) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3704087 0.84 TAAR1 (0.44) ITGB2ICAM1ITGALMAPTALDH1A1

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 ITGB2 3335/4885ICAM1 951/4885ITGAL 3318/4885

“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.