SCHEMBL16787447

SCHEMBL16787447

OCc1cc2cc(Cl)ccc2n1CCCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
KMT2A Q03164 1/20 0.35
ACLY P53396 1/20 0.35
CCR2 P41597 3/20 0.34
CNR2 P34972 1/20 0.34
OXER1 Q8TDS5 1/20 0.34
PPARG P37231 2/20 0.34
PPARA Q07869 2/20 0.34
PLK1 P53350 1/20 0.34
PPARD Q03181 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
HSP90B1 P14625 1/20 0.33

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
SCHEMBL16657417 0.83 NUDT1 (0.41) NUDT1BACE1KMT2AACLYCCR2
SCHEMBL31069448 0.82 CNR2 (0.35) KMT2ACNR2
SCHEMBL15551280 0.79 NUDT1 (0.40) NUDT1BACE1KMT2ACNR2HSP90B1
SCHEMBL16236263 0.78 NUDT1 (0.39) NUDT1BACE1KMT2AACLYCCR2
SCHEMBL15650182 0.78 RAB9A (0.42) NUDT1BACE1KMT2AACLYCCR2
SCHEMBL15416636 0.76 NUDT1 (0.40) NUDT1BACE1PPARGPPARAPPARD
SCHEMBL16235700 0.76 BACE1 (0.40) NUDT1BACE1KMT2AACLYCCR2
SCHEMBL16235887 0.75 NUDT1 (0.40) NUDT1BACE1PPARGPPARAPPARD
SCHEMBL16236021 0.75 PPARG (0.39) PPARGPPARAPPARD
SCHEMBL12491153 0.75 MAPT (0.41) KMT2ACCR2OXER1PPARGPPARA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150158862-A1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-11 US disclosed
US-20150158862-A1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS JANSSEN R&D IRELAND (US) 2015-06-11 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 (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-20150158862-A1 1,3-DIHYDRO-2H-BENZIMIDAZOL-2-ONE DERIVATIVES SUBSTITUTED WITH HETEROCYCLES AS RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS ZC3HAV1, HELZ, SARS1 NUDT1 424/4885BACE1 992/4885KMT2A 2944/4885

“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.