SCHEMBL4513401

SCHEMBL4513401

NC(=NO)C1CCCN(C(=O)O)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 3/20 0.40
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
HPGD P15428 2/20 0.37
TSHR P16473 1/20 0.37
HSD11B1 P28845 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL4513398 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1LMNAGLAHSD17B10
SCHEMBL5946021 1.00 ALDH1A1 (0.41) ALDH1A1MAPK1LMNAGLAHSD17B10
SCHEMBL19385118 0.89 GAA (0.35) ALDH1A1MAPK1LMNAHPGDTSHR
SCHEMBL22555636 0.89 GAA (0.35) ALDH1A1MAPK1LMNAHPGDTSHR
SCHEMBL22555635 0.89 GAA (0.35) ALDH1A1MAPK1LMNAHPGDTSHR
SCHEMBL19385119 0.89 GAA (0.35) ALDH1A1MAPK1LMNAHPGDTSHR
SCHEMBL29064415 0.89 GAA (0.35) ALDH1A1MAPK1LMNAHPGDTSHR
SCHEMBL25363482 0.82 ALDH1A1 (0.57) ALDH1A1MAPK1LMNAGLAHSD17B10
SCHEMBL2224391 0.82 ALDH1A1 (0.57) ALDH1A1MAPK1LMNAGLAHSD17B10
SCHEMBL28774060 0.82 ALDH1A1 (0.57) ALDH1A1MAPK1LMNAGLAHSD17B10

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
EP-1444225-B1 PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. MERCK SERONO SA (CH) 2012-10-10 EP disclosed
US-20090264425-A1 CHEMICAL COMPOUNDS PFIZER LIMITED 2009-10-22 US disclosed
EP-1831157-A2 NONNUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE Pfizer Limited (GB) 2007-09-12 EP 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
WO-2006067587-A2 NONNUCLEOSIDE INHIBITORS OF HIV-1 REVERSE TRANSCRIPTASE PFIZER LIMITED (GB) 2006-06-29 WO disclosed
US-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives MERCK SERONO SA (CH) 2004-11-04 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-20040220238-A1 Pyrrolidine oxadiazole-and thiadiazole derivatives OXTR, PRLHR, PGF ALDH1A1 1541/4885MAPK1 3216/4885LMNA 3441/4885
US-20060229343-A1 Pyrrolidine oxadiazole-and thiadiazole oxime derivatives being oxytocin receptor antagonists OXTR, PRLHR, OXER1 ALDH1A1 2144/4885MAPK1 2748/4885LMNA 3805/4885
US-20090264425-A1 CHEMICAL COMPOUNDS POLR2E, POLR2A, POLRMT ALDH1A1 423/4885MAPK1 4190/4885LMNA 2062/4885

“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.