SCHEMBL441955

SCHEMBL441955

CC(Oc1ncc(C(=O)NCc2nc(C(F)(F)F)no2)cc1-c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
TP53 P04637 2/20 0.45
THRB P10828 3/20 0.45
CNR1 P21554 5/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
KCNH2 Q12809 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN10A Q9Y5Y9 1/20 0.40
CTSA P10619 2/20 0.39
RHOC P08134 1/20 0.38
RHOA P61586 1/20 0.38
TACR2 P21452 1/20 0.38
RECQL P46063 1/20 0.38
GABRA5 P31644 1/20 0.38

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
SCHEMBL411123 1.00 MAPT (0.45) MAPTTP53THRBCNR1SMN1; SMN2
SCHEMBL411182 0.88 CNR1 (0.47) MAPTTP53THRBCNR1KCNH2
SCHEMBL411092 0.88 CNR1 (0.55) MAPTTP53THRBCNR1KCNH2
SCHEMBL412095 0.85 CNR1 (0.55) MAPTTP53THRBCNR1TACR2
SCHEMBL444416 0.85 MAPT (0.40) MAPTTP53THRBCNR1SMN1; SMN2
SCHEMBL412249 0.85 MAPT (0.40) MAPTTP53THRBCNR1SMN1; SMN2
SCHEMBL410622 0.85 CNR1 (0.45) THRBCNR1SMN1; SMN2S1PR1S1PR3
SCHEMBL441620 0.85 CNR1 (0.45) THRBCNR1SMN1; SMN2S1PR1S1PR3
SCHEMBL444586 0.83 CNR1 (0.45) MAPTTP53THRBCNR1TACR2
SCHEMBL412122 0.83 CNR1 (0.45) MAPTTP53THRBCNR1TACR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 US claimed
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP disclosed
US-9090599-B2 Heteroarylmethyl amides HOFFMANN-LA ROCHE INC. (US) 2015-07-28 US disclosed
US-20140194436-A1 HETEROARYLMETHYL AMIDES HOFFMANN-LA ROCHE INC. (US) 2014-07-10 US disclosed
US-8729105-B2 Heteroarylmethyl amides HOFFMANN LA-ROCHE INC. (US) 2014-05-20 US disclosed
EP-2613785-A1 HETEROARYLMETHYL AMIDES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-17 EP disclosed
WO-2012032018-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 WO disclosed
US-20120065212-A1 HETEROARYLMETHYL AMIDES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-15 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-20140194436-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR MAPT 4619/4885TP53 4522/4885THRB 2456/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR MAPT 4619/4885TP53 4522/4885THRB 2456/4885

“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.