SCHEMBL4938908

SCHEMBL4938908

C=CCO/N=C1\C[C@@H](C(=O)Nc2ccc3ncccc3c2)N(C(=O)c2ccccc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 2/20 0.45
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 4/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40
POLB P06746 2/20 0.39
OXTR P30559 1/20 0.39
NAMPT P43490 2/20 0.39
CFTR P13569 5/20 0.39
NOTUM Q6P988 1/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL4938914 1.00 PABPC1 (0.45) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL4945291 0.87 NOTUM (0.40) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL4945299 0.87 NOTUM (0.40) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL6980791 0.84 CFTR (0.42) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL4942211 0.84 CFTR (0.42) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL6980794 0.84 CFTR (0.42) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL4942208 0.84 CFTR (0.42) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL4945478 0.82 OXTR (0.57) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL7132686 0.82 OXTR (0.57) PABPC1MEN1MAPTKMT2ANPC1
SCHEMBL7132689 0.82 OXTR (0.57) PABPC1MEN1MAPTKMT2ANPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 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 (3 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR PABPC1 2918/4885MEN1 4853/4885MAPT 4844/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 PABPC1 2887/4885MEN1 4860/4885MAPT 4816/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS PABPC1 2566/4885MEN1 4751/4885MAPT 2519/4885

“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.