SCHEMBL3695334

SCHEMBL3695334

CCOC(=O)CN(C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCCN1CCOCC1)C(Cl)Cc1ccc(Cl)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 2/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 7/20 0.34
USP2 O75604 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
TACR2 P21452 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.33
TSHR P16473 2/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARG P37231 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
EPHX2 P34913 1/20 0.33
C5AR1 P21730 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL3710700 0.91 MDM2 (0.38) MDM2TP53ALDH1A1USP2TACR2
SCHEMBL3705051 0.89 APAF1 (0.36) MDM2TP53ALDH1A1USP2NPSR1
SCHEMBL3708097 0.88 TSHR (0.34) MDM2TP53ALDH1A1USP2NPSR1
SCHEMBL3697424 0.86 APAF1 (0.34) MDM2TP53ALDH1A1USP2NPSR1
SCHEMBL9101546 0.85 C5AR1 (0.39) ALDH1A1TACR2KDM4EC5AR1
SCHEMBL9104196 0.84 MDM2 (0.35) MDM2TP53ALDH1A1USP2NPSR1
SCHEMBL3696385 0.84 PTGS2 (0.37) ALDH1A1KDM4EMMP2MMP3MMP9
SCHEMBL3700914 0.84 TSHR (0.41) TP53ALDH1A1USP2NPSR1LMNA
SCHEMBL3701950 0.84 KCNJ1 (0.36) MDM2TP53ALDH1A1USP2NPSR1
SCHEMBL3705169 0.83 ALDH1A1 (0.36) ALDH1A1LMNAHTTTACR2L3MBTL1

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 MDM2 1367/4885TP53 336/4885ALDH1A1 701/4885

“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.