SCHEMBL4942691

SCHEMBL4942691

O=C(C1CC(=NOCc2ccc(Cl)c(Cl)c2)CN1C(=O)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.53
MAPT P10636 2/20 0.46
TSHR P16473 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RECQL P46063 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
FAAH O00519 1/20 0.44
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL4942697 1.00 KMT2A (0.53) KMT2AMEN1MAPTTSHRKDM4E
SCHEMBL4942710 0.84 KMT2A (0.41) KMT2AMEN1MAPTTSHRGAA
SCHEMBL4942714 0.84 KMT2A (0.41) KMT2AMEN1MAPTTSHRGAA
SCHEMBL4939050 0.74 OPRK1 (0.42) TDP1
SCHEMBL4939053 0.74 OPRK1 (0.42) TDP1
SCHEMBL4938507 0.73 MAPT (0.51) KMT2AMEN1MAPTTSHRGAA
SCHEMBL4939635 0.72 MAPT (0.41) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL4939641 0.72 MAPT (0.41) KMT2AMEN1MAPTGAAALDH1A1
SCHEMBL4942347 0.70 OPRK1 (0.41) KMT2AMEN1TDP1LMNA
SCHEMBL4942349 0.70 OPRK1 (0.41) KMT2AMEN1TDP1LMNA

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-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 KMT2A 2950/4885MEN1 4853/4885MAPT 4844/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 KMT2A 3594/4885MEN1 4860/4885MAPT 4816/4885

“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.