SCHEMBL1246894

SCHEMBL1246894

NC(=O)c1cnc(Oc2ccccc2)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.59
OPRM1 P35372 4/20 0.48
OPRD1 P41143 4/20 0.48
OPRK1 P41145 4/20 0.48
HPGDS O60760 3/20 0.48
GRM5 P41594 1/20 0.47
KMT2A Q03164 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
CTNNB1 P35222 1/20 0.47
PARP15 Q460N3 3/20 0.47
PARP14 Q460N5 2/20 0.47
ALDH1A1 P00352 2/20 0.47
PARP16 Q8N5Y8 1/20 0.47
PARP11 Q9NR21 1/20 0.47
PARP4 Q9UKK3 1/20 0.47
CYP3A4 P08684 2/20 0.47

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
SCHEMBL28106095 0.97 PARP10 (0.66) PARP10OPRM1OPRD1OPRK1HPGDS
SCHEMBL24155461 0.85 KMT2A (0.60) PARP10HPGDSKMT2ANPC1RAB9A
SCHEMBL3223597 0.85 HPGDS (0.54) PARP10HPGDSKMT2ANPC1RAB9A
SCHEMBL2314280 0.82 MEN1 (0.57) HPGDSKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL27993361 0.81 PARP10 (0.64) PARP10OPRM1OPRD1OPRK1KMT2A
SCHEMBL22724717 0.80 PARP10 (0.79) PARP10KMT2ASMN1; SMN2PARP15PARP14
SCHEMBL24124455 0.80 PARP10 (0.79) PARP10KMT2ASMN1; SMN2PARP15PARP14
SCHEMBL3221698 0.79 HPGDS (0.58) HPGDSKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL1245960 0.79 OPRM1 (0.71) PARP10OPRM1OPRD1OPRK1GRIN2D
SCHEMBL4371705 0.79 MAOB (0.54) PARP10KMT2ANPC1RAB9ASMN1; 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
WO-2017134188-A1 NOVEL DIHYDROPYRIDINONE AND DIHYDROPYRIMIDINONE COMPOUNDS AND THEIR USE UNIVERSITE DE LILLE 2 DROIT ET SANTE (FR) 2017-08-10 WO disclosed
US-8440417-B2 Method for assaying compounds or agents for ability to displace potent ligands of hematopoietic prostaglandin D synthase CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2013-05-14 US disclosed
EP-2286221-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE Cayman Chemical Company (US) 2011-02-23 EP disclosed
US-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 US disclosed
WO-2009140364-A2 METHODS FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE CAYMAN CHEMICAL COMPANY (US) 2009-11-19 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-20090286261-A1 METHOD FOR ASSAYING COMPOUNDS OR AGENTS FOR ABILITY TO DISPLACE POTENT LIGANDS OF HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE HPGDS, HPGD, GMDS PARP10 1320/4885OPRM1 419/4885OPRD1 101/4885

“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.