Sugi Predict

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SCHEMBL4942674

SCHEMBL4942674

CCCCCc1ccc(C(=O)N2CC(=NOCc3ccccc3)CC2C(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c(=O)o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RECQL P46063 1/20 0.38
▸ USP2 O75604 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MMP1 P03956 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ MAPT P10636 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CFTR P13569 1/20 0.34
▸ TMEM97 Q5BJF2 2/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL4942681 1.00 HTT (0.38) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4943329 0.77 MMP1 (0.41) MMP1MMP3MMP7MMP13CFTR
SCHEMBL4949402 0.77 CFTR (0.38) MEN1KMT2ALMNASMN1; SMN2ALOX15
SCHEMBL4949408 0.77 CFTR (0.38) MEN1KMT2ALMNASMN1; SMN2ALOX15
SCHEMBL6094127 0.77 CFTR (0.38) MEN1KMT2ALMNASMN1; SMN2ALOX15
SCHEMBL6094122 0.77 CFTR (0.38) MEN1KMT2ALMNASMN1; SMN2ALOX15
SCHEMBL4939635 0.77 MAPT (0.41) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4939641 0.77 MAPT (0.41) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4938510 0.76 MAPT (0.51) HTTMEN1KMT2ALMNASMN1; SMN2
SCHEMBL4938507 0.76 MAPT (0.51) HTTMEN1KMT2ALMNASMN1; SMN2

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 5 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 — — 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR HTT 3970/4885MEN1 4853/4885KMT2A 2950/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 HTT 3692/4885MEN1 4860/4885KMT2A 3594/4885

“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.