SCHEMBL3699232

SCHEMBL3699232

C#CCN1C(=O)CN(C(Cl)Cc2ccc(Cl)cc2)C(=O)C1CC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
HTT P42858 3/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.32
CYP1A2 P05177 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
SCHEMBL3702422 0.87 GPBAR1 (0.35) ALDH1A1GPBAR1TSHR
SCHEMBL3698076 0.85 GPBAR1 (0.39) ALDH1A1GPBAR1MEN1KMT2ASMN1; SMN2
SCHEMBL9104473 0.85 LMNA (0.39) GPBAR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3707712 0.85 ALDH1A1 (0.39) ALDH1A1GPBAR1MEN1KMT2ASMN1; SMN2
SCHEMBL9105786 0.84 GPBAR1 (0.33) ALDH1A1GPBAR1MEN1KMT2AMAPT
SCHEMBL9099926 0.83 HDAC1 (0.32) GPBAR1MAPT
SCHEMBL9105245 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTTSHRLMNA
SCHEMBL3710700 0.81 MDM2 (0.38) ALDH1A1SMN1; SMN2TSHRUSP2
SCHEMBL3701796 0.80 MEN1 (0.35) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL3701709 0.80 HPGD (0.40) ALDH1A1GPBAR1MEN1KMT2AMAPT

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 ALDH1A1 701/4885GPBAR1 2808/4885MEN1 3731/4885

“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.