SCHEMBL16657385

SCHEMBL16657385

Nc1cnccc1Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.56
KCNH2 Q12809 2/20 0.51
SCN5A Q14524 2/20 0.51
SCN9A Q15858 2/20 0.51
ABL1 P00519 3/20 0.46
BCR P11274 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CHRNA7 P36544 2/20 0.44
DHFR P00374 2/20 0.43
FLT1 P17948 2/20 0.42
KDR P35968 2/20 0.42
CTSC P53634 1/20 0.42
TTBK1 Q5TCY1 1/20 0.42
TTBK2 Q6IQ55 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 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
SCHEMBL14280707 0.80 GAA (0.59) NPC1RAB9APTGS1PTGS2L3MBTL1
SCHEMBL20553050 0.79 TDO2 (0.47) TDO2KCNH2SCN5ASCN9AABL1
SCHEMBL3981866 0.78 MAPT (0.61) KCNH2SCN5ASCN9AABL1BCR
SCHEMBL16089616 0.78 RAB9A (0.56) TDO2KCNH2SCN5ASCN9ANPC1
SCHEMBL14003573 0.77 RAD52 (0.52) RAB9APTGS1PTGS2
SCHEMBL16657386 0.77 HTT (0.70) TDO2KCNH2SCN5ASCN9AABL1
SCHEMBL2455527 0.75 DHODH (0.58) TDO2NPC1RAB9APTGS1PTGS2
SCHEMBL9390146 0.74 PTGS1 (0.51) RAB9APTGS1PTGS2
SCHEMBL16657411 0.74 GAA (0.58) TDO2KCNH2SCN5ASCN9ANPC1
SCHEMBL16657388 0.74 LMNA (0.60) TDO2KCNH2SCN5ASCN9APTGS1

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-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-9845321-B2 1,3-dihydro-2H-benzimidazol-2-one derivatives substituted with heterocycles as respiratory syncytial virus antiviral agents JANSSEN SCIENCES IRELAND UC (IE) 2017-12-19 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN PHARMACEUTICA NV (BE) 2016-05-05 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 US disclosed
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSEN R&D IRELAND (US) 2015-04-23 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 (2 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-20160122346-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ TDO2 1345/4885KCNH2 2889/4885SCN5A 2693/4885
US-20150111868-A1 NOVEL 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, ZC3HAV1L, HELZ TDO2 1345/4885KCNH2 2889/4885SCN5A 2693/4885

“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.