SCHEMBL4941477

SCHEMBL4941477

O=C(O)c1ccc(-c2ccc[n+]([O-])c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
CA12 O43570 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
CA14 Q9ULX7 2/20 0.49
EGFR P00533 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 1/20 0.42
BCL2 P10415 1/20 0.42

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
SCHEMBL1585710 0.80 L3MBTL1 (0.50) MEN1KMT2ACA12CA1CA2
SCHEMBL2396258 0.80 CA12 (0.54) MEN1KMT2ACA12CA1CA2
Oxiniacic Acid SCHEMBL29766756 0.79 MEN1 (1.00) MEN1KMT2ATSHRSRD5A2
Oxiniacic Acid SCHEMBL129209 0.79 MEN1 (1.00) MEN1KMT2ATSHRSRD5A2
SCHEMBL739421 0.79 BCL2L1 (0.54) MEN1KMT2ACA12CA1CA2
SCHEMBL12849572 0.79 NNMT (0.49) CA12CA1CA2CA9CA14
SCHEMBL9716225 0.78 MEN1 (0.48) MEN1KMT2A
SCHEMBL7424337 0.76 TSHR (0.43) MEN1KMT2ACA12CA1CA2
SCHEMBL7155730 0.76 EGFR (0.72) EGFRMKNK1MKNK2BCL2L1BAD
SCHEMBL38562 0.76 EGFR (0.72) EGFRMKNK1MKNK2BCL2L1BAD

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 EP disclosed
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
EP-1390347-B1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACTIVITY SERONO LAB (CH) 2008-05-07 EP disclosed
EP-1829861-A2 Pyrrolidine ester derivatives active as oxytocin antagonists Applied Research Systems ARS Holding N.V. (AN) 2007-09-05 EP disclosed
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-06-07 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
US-7189754-B2 Pyrrolidine ester derivatives with oxytocin modulating activity APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2007-03-13 US disclosed
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDDING N.V. (NL) 2006-10-12 US disclosed
US-7115639-B2 Pyrrolidine oxadiazole- and thiadiazole oxime derivatives being oxytocin receptor antagonists APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-10-03 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
US-6541505-B1 Inhibiting the activity of Factor Xa; treating a disease state associated with a physiologically detrimental excess amount of thrombin. AVENTIS PHARMACEUTICALS INC. 2003-04-01 US disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2002102799-A2 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-12-27 WO disclosed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US disclosed
WO-2002074741-A1 PYRROLIDINE ESTER DERIVATIVES WITH OXYTOCIN MODULATING ACITVITY APPLIED RESEARCH SYSTEMS ARS HOLDING NV (AN) 2002-09-26 WO disclosed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO disclosed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 WO 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 (4 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 MEN1 4860/4885KMT2A 3594/4885CA12 4408/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 MEN1 4854/4885KMT2A 4144/4885CA12 4831/4885
US-20070129381-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE ESTER DERIVATIVES OXTR, GPR6, CNR1 MEN1 4834/4885KMT2A 4284/4885CA12 4355/4885
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 MEN1 1953/4885KMT2A 1193/4885CA12 2161/4885

“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.