SCHEMBL5736025

SCHEMBL5736025

C=CCON=C1CC(C(=O)Nc2ccccc2-n2cccc2)N(C(=O)c2ccc(C#N)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
OXTR P30559 3/20 0.38
AVPR1A P37288 2/20 0.35
HCRTR1 O43613 9/20 0.33
HCRTR2 O43614 9/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
GLA P06280 1/20 0.32
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.31
CFTR P13569 1/20 0.31
KCNQ2 O43526 1/20 0.31

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
SCHEMBL4943389 1.00 MMP1 (0.38) MMP1OXTRAVPR1AHCRTR1HCRTR2
SCHEMBL5736023 1.00 MMP1 (0.38) MMP1OXTRAVPR1AHCRTR1HCRTR2
SCHEMBL4943396 1.00 MMP1 (0.38) MMP1OXTRAVPR1AHCRTR1HCRTR2
SCHEMBL4941478 0.79 OXTR (0.43) MMP1OXTRAVPR1ALMNADPP4
SCHEMBL4941472 0.79 OXTR (0.43) MMP1OXTRAVPR1ALMNADPP4
SCHEMBL4944080 0.78 RORC (0.50) HCRTR1LMNAPOLBMEN1ALDH1A1
SCHEMBL4944078 0.78 RORC (0.50) HCRTR1LMNAPOLBMEN1ALDH1A1
SCHEMBL4936492 0.73 ALDH1A1 (0.44) MMP1OXTRAVPR1AALDH1A1KMT2A
SCHEMBL4936495 0.73 ALDH1A1 (0.44) MMP1OXTRAVPR1AALDH1A1KMT2A
SCHEMBL4943245 0.73 OXTR (0.45) OXTRAVPR1ALMNAGLAMEN1

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
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 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-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MMP1 4354/4885OXTR 189/4885AVPR1A 1456/4885

“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.