SCHEMBL2582950

SCHEMBL2582950

CC(NC(O)=S)C(=O)c1ccc2nc(-c3ccccc3)oc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.53
SENP8 Q96LD8 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SENP6 Q9GZR1 1/20 0.53
HDAC6 Q9UBN7 5/20 0.52
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 3/20 0.49
HPGD P15428 2/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
ATM Q13315 1/20 0.49
TTR P02766 1/20 0.46
ALB P02768 1/20 0.46
MAOA P21397 1/20 0.46

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
SCHEMBL14759058 0.91 CASP3 (0.55) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL2582947 0.89 CASP3 (0.53) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL2591395 0.82 CASP3 (0.55) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL2592274 0.82 CASP3 (0.55) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL144958 0.79 MAPT (0.71) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL2582895 0.79 CASP3 (0.52) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL2582892 0.79 CASP3 (0.52) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL2583742 0.78 CASP3 (0.53) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL121973 0.78 CASP3 (0.69) CASP3SENP8SENP7SENP6HDAC6
SCHEMBL29784233 0.77 TTR (0.72) CASP3SENP8SENP7SENP6HDAC6

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
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
US-8772323-B2 Benzoxazole- and tetrahydrobenzoxazole-substituted pyridazinones as GPR119 agonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-08 US disclosed
US-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-04 US disclosed
EP-2566864-A2 PYRIDAZINONES AS GPR119 AGONISTS Boehringer Ingelheim International GmbH (DE) 2013-03-13 EP disclosed
WO-2011138427-A2 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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 (1 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-20130172323-A1 PYRIDAZINONES AS GPR119 AGONISTS GPR65, GPR119, GPR55 CASP3 4328/4885SENP8 4851/4885SENP7 4778/4885

“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.