SCHEMBL4949419

SCHEMBL4949419

COc1ccc(CO/N=C2\C[C@@H](C(=O)Nc3cccc4nsnc34)N(C(=O)c3ccccc3)C2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 2/20 0.41
USP2 O75604 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CFTR P13569 5/20 0.40
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
PABPC1 P11940 1/20 0.40
OXTR P30559 1/20 0.40

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
SCHEMBL4949424 1.00 HPGD (0.43) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4943178 0.86 ALDH1A1 (0.41) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4943171 0.86 ALDH1A1 (0.41) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4939037 0.82 OXTR (0.57) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL7089080 0.82 OXTR (0.57) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4936492 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHDAC8CFTRKMT2A
SCHEMBL4936495 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EHDAC8CFTRKMT2A
SCHEMBL4944223 0.75 ALDH1A1 (0.45) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4944225 0.75 ALDH1A1 (0.45) HPGDALDH1A1KDM4EMAPTHSD17B10
SCHEMBL4943313 0.75 ALDH1A1 (0.46) HPGDALDH1A1KDM4EMAPTHSD17B10

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 HPGD 930/4885ALDH1A1 3384/4885KDM4E 2553/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 HPGD 946/4885ALDH1A1 3219/4885KDM4E 2451/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS HPGD 689/4885ALDH1A1 3249/4885KDM4E 1468/4885

“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.