SCHEMBL5454062

SCHEMBL5454062

Fc1ccc(C[CH]Cc2cccnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CHRNA7 P36544 1/20 0.43
RAB9A P51151 1/20 0.43
ELOVL1 Q9BW60 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
NR1D1 P20393 1/20 0.42
CHRNB2 P17787 2/20 0.42
CHRNA4 P43681 2/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL8726941 0.85 LTA4H (0.52) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL7380489 0.83 CYP1A2 (0.48) CYP1A2CYP2D6ALDH1A1CHRNA7CHRNB2
SCHEMBL5460631 0.82 NR1H3 (0.46) CYP1A2CYP2D6ALDH1A1CHRNA7
SCHEMBL3758352 0.79 TBXAS1 (0.56) GAAPOLBCYP1A2CYP2D6
SCHEMBL6176772 0.79 CHRNA7 (0.57) GAAPOLBCYP1A2CYP2D6CHRNA7
SCHEMBL7041057 0.78 MAOB (0.50) ALDH1A1RAB9A
SCHEMBL27613782 0.78 IDO1 (0.50) RAB9A
SCHEMBL6133002 0.76 NAPRT (0.48) CYP1A2CYP2D6ALDH1A1CHRNA7CHRNB2
SCHEMBL27496388 0.76 CHRNA7 (0.57) CYP1A2CYP2D6CHRNA7CHRNB2CHRNA4
SCHEMBL10559908 0.75 CYP1A2 (0.75) GAAPOLBCYP1A2CYP2D6ALDH1A1

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-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 US claimed
US-20070276009-A1 Compositions and Methods for Viral Inhibition CHIRON CORPORATION 2007-11-29 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-20070276009-A1 Compositions and Methods for Viral Inhibition MAVS, SARS1, ZC3HAV1 GAA 1417/4885POLB 1048/4885CYP1A2 456/4885

“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.