SCHEMBL4944092

SCHEMBL4944092

CO/N=C1\C[C@@H](C(=O)Nc2ccc3ncccc3c2)N(C(=O)COc2ccccc2)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.43
P2RY14 Q15391 2/20 0.43
NOTUM Q6P988 1/20 0.43
HDAC8 Q9BY41 6/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
PABPC1 P11940 1/20 0.42
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
OXTR P30559 1/20 0.40
EPHX2 P34913 1/20 0.39
OGA O60502 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
SCHEMBL4944104 1.00 PTPN1 (0.43) PTPN1P2RY14NOTUMHDAC8NPC1
SCHEMBL4944233 0.84 NOTUM (0.42) P2RY14NOTUMHDAC8NPC1RAB9A
SCHEMBL4944236 0.84 NOTUM (0.42) P2RY14NOTUMHDAC8NPC1RAB9A
SCHEMBL4945478 0.84 OXTR (0.57) HDAC8NPC1RAB9APABPC1POLB
SCHEMBL7132686 0.84 OXTR (0.57) HDAC8NPC1RAB9APABPC1POLB
SCHEMBL7132689 0.84 OXTR (0.57) HDAC8NPC1RAB9APABPC1POLB
SCHEMBL4945291 0.82 NOTUM (0.40) P2RY14NOTUMHDAC8NPC1RAB9A
SCHEMBL4945299 0.82 NOTUM (0.40) P2RY14NOTUMHDAC8NPC1RAB9A
SCHEMBL4938908 0.76 PABPC1 (0.45) NOTUMHDAC8NPC1RAB9APABPC1
SCHEMBL4938914 0.76 PABPC1 (0.45) NOTUMHDAC8NPC1RAB9APABPC1

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 6 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-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 (2 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-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 PTPN1 1985/4885P2RY14 1036/4885NOTUM 780/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS PTPN1 1229/4885P2RY14 2792/4885NOTUM 3553/4885

“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.