SCHEMBL438713

SCHEMBL438713

CC(Oc1cnc(C(=O)NCc2cc(C(F)(F)F)no2)nc1-c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GABRA5 P31644 3/20 0.37
THRB P10828 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
JAK2 O60674 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
S1PR1 P21453 1/20 0.34
S1PR3 Q99500 1/20 0.34

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
SCHEMBL411580 1.00 LMNA (0.41) LMNAPOLBTP53MAPTNPC1
SCHEMBL412285 0.87 POLB (0.41) LMNAPOLBTP53MAPTNPC1
SCHEMBL442017 0.84 MAPT (0.42) TP53MAPTGABRA5THRBSMN1; SMN2
SCHEMBL411567 0.84 MAPT (0.42) TP53MAPTGABRA5THRBSMN1; SMN2
SCHEMBL411134 0.84 CNR1 (0.42) LMNAPOLBTP53MAPTGABRA5
SCHEMBL411124 0.81 NPC1 (0.49) LMNAPOLBNPC1RAB9AGABRA5
SCHEMBL412129 0.76 RORC (0.39) LMNAMAPTNPC1RAB9AGABRA5
SCHEMBL444452 0.76 RORC (0.39) LMNAMAPTNPC1RAB9AGABRA5
SCHEMBL439158 0.76 KMO (0.41) GABRA5P2RX3
SCHEMBL411490 0.76 KMO (0.41) GABRA5P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2613785-B1 HETEROARYLMETHYL AMIDES HOFFMANN LA ROCHE (CH) 2015-07-29 EP claimed
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
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 LMNA 886/4885POLB 3742/4885TP53 4522/4885
US-20120065212-A1 HETEROARYLMETHYL AMIDES APOB, LDLR, HMGCR LMNA 886/4885POLB 3742/4885TP53 4522/4885

“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.