Sugi Predict

Sugi Predict / Compounds / SCHEMBL4944083

SCHEMBL4944083

SCHEMBL4944083

N#Cc1ccc(C(=O)N2CC(=NOCc3ccccc3)C[C@H]2C(=O)NCc2ccco2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.43
▸ OXTR P30559 2/20 0.43
▸ AVPR1A P37288 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ MMP1 P03956 1/20 0.38
▸ MMP3 P08254 1/20 0.38
▸ MMP7 P09237 1/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ SGMS2 Q8NHU3 1/20 0.37
▸ USP2 O75604 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL4944079 1.00 ALDH1A1 (0.43) ALDH1A1OXTRAVPR1AKDM4EPOLB
SCHEMBL4943288 0.85 ALDH1A1 (0.46) ALDH1A1OXTRAVPR1AKDM4EPOLB
SCHEMBL4943313 0.85 ALDH1A1 (0.46) ALDH1A1OXTRAVPR1AKDM4EPOLB
SCHEMBL4941927 0.83 ALDH1A1 (0.42) ALDH1A1OXTRPOLBTSHRKMT2A
SCHEMBL4941924 0.83 ALDH1A1 (0.42) ALDH1A1OXTRPOLBTSHRKMT2A
SCHEMBL4945261 0.79 OXTR (0.67) ALDH1A1OXTRAVPR1AUSP2SMN1; SMN2
SCHEMBL7090117 0.79 OXTR (0.67) ALDH1A1OXTRAVPR1AUSP2SMN1; SMN2
SCHEMBL7090115 0.79 OXTR (0.67) ALDH1A1OXTRAVPR1AUSP2SMN1; SMN2
SCHEMBL4943178 0.75 ALDH1A1 (0.41) ALDH1A1OXTRAVPR1AKDM4EMMP1
SCHEMBL4943171 0.75 ALDH1A1 (0.41) ALDH1A1OXTRAVPR1AKDM4EMMP1

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-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 ALDH1A1 3384/4885OXTR 1/4885AVPR1A 203/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 ALDH1A1 3219/4885OXTR 1/4885AVPR1A 261/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS ALDH1A1 3249/4885OXTR 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.