SCHEMBL2233781

SCHEMBL2233781

O=c1c2ncccc2[nH]c(=S)n1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL3 P58215 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48
HTT P42858 1/20 0.47
PDE7A Q13946 1/20 0.47
PDE7B Q9NP56 1/20 0.47
RXFP1 Q9HBX9 2/20 0.46
PPARG P37231 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
PKM P14618 1/20 0.45
HPGD P15428 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
MAPK14 Q16539 1/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40

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
SCHEMBL1992198 0.86 ALDH1A1 (0.50) LOXL3LOXL2HTTPDE7APDE7B
SCHEMBL5431810 0.86 KIF11 (0.47) LOXL3LOXL2HTTPDE7APDE7B
SCHEMBL5425840 0.81 ALDH1A1 (0.59) LOXL3LOXL2HTTPDE7APDE7B
SCHEMBL18239987 0.77 PDE7A (0.77) HTTPDE7APDE7BRXFP1PPARG
SCHEMBL31419817 0.77 PDE7A (0.77) HTTPDE7APDE7BRXFP1PPARG
SCHEMBL1991634 0.73 HPGD (0.45) LOXL3LOXL2HTTPDE7APDE7B
SCHEMBL11867641 0.73 PARP1 (0.47) LOXL3LOXL2PDE7APDE7BHPGD
Hydrochloric Acid SCHEMBL1995732 0.71 HPGD (0.43) LOXL3LOXL2RXFP1PPARGNPSR1
SCHEMBL23045531 0.69 ALDH1A1 (0.71) HTTPDE7APDE7BRXFP1CA12
SCHEMBL12681731 0.69 CA12 (0.69) HTTPDE7APDE7BRXFP1HPGD

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-8759361-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2014-06-24 US disclosed
EP-2061794-B1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORP (US) 2012-12-05 EP disclosed
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES NEUROGEN CORPORATION (US) 2012-08-16 US disclosed
US-8003656-B2 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2011-08-23 US disclosed
US-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES NEUROGEN CORPORATION (US) 2010-01-14 US disclosed
US-20090069347-A1 2-phenoxy pyrimidinone analogues NEUROGEN CORPORATION (US) 2009-03-12 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-20100008866-A1 CIS-CYCLOHEXYL SUBSTITUTED PYRIMIDINONE DERIVATIVES PIGS, GPR174, GPR17 LOXL3 1320/4885LOXL2 1129/4885HTT 1738/4885
US-20120208829-A1 2-PHENOXY PYRIMIDINONE ANALOGUES GPR174, GPR17, PTGFR LOXL3 1019/4885LOXL2 596/4885HTT 2063/4885
US-20090069347-A1 2-phenoxy pyrimidinone analogues GPR174, GPR17, PTGFR LOXL3 1019/4885LOXL2 596/4885HTT 2063/4885

“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.