SCHEMBL5463293

SCHEMBL5463293

COc1ccc2c(=O)c(N3C=C(Cc4ccccc4)ON3)cn(Cc3ccc(C(F)(F)F)cc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
LMNA P02545 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CHRM1 P11229 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
PLA2G2A P14555 1/20 0.37
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL5352314 0.74 USP10 (0.45) CNR1CNR2LMNAALDH1A1CHRM1
SCHEMBL5461187 0.71 DRD2 (0.45) CNR1CNR2LMNAALDH1A1CHRM1
SCHEMBL7440853 0.70 CNR1 (0.52) CNR1CNR2LMNAALDH1A1CHRM1
SCHEMBL8635323 0.67 CNR1 (0.49) CNR1CNR2LMNAALDH1A1CHRM1
SCHEMBL9732645 0.65 PLA2G2A (0.61) LMNAALDH1A1HDAC1HDAC2HDAC6
SCHEMBL7396359 0.64 CNR1 (0.52) CNR1CNR2LMNAALDH1A1CHRM1
SCHEMBL5465948 0.63 MAPT (0.61) LMNAALDH1A1CHRM1TP53MAPT
SCHEMBL9583982 0.62 PLA2G2A (0.48) CNR1CNR2LMNAALDH1A1HDAC1
SCHEMBL29073992 0.61 HTR6 (0.48) CNR1CNR2LMNAALDH1A1TP53
SCHEMBL3234261 0.61 LMNA (0.54) LMNACHRM1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070287699-A1 ANTIVIRAL AGENTS VIROBAY, INC. (US) 2007-12-13 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-20070287699-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 CNR1 4234/4885CNR2 4636/4885LMNA 4460/4885

“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.