SCHEMBL4809760

SCHEMBL4809760

Cc1ccc(Cc2n[nH]c(=O)n2C)cc1Oc1cccc(C#N)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.51
FNTA P49354 2/20 0.41
FNTB P49356 2/20 0.41
PGGT1B P53609 2/20 0.41
P2RX3 P56373 4/20 0.41
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HTR2C P28335 1/20 0.39
PPARG P37231 1/20 0.39
KCNH2 Q12809 1/20 0.39
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
EPAS1 Q99814 1/20 0.36
BRD4 O60885 1/20 0.36
MTNR1B P49286 1/20 0.36
AR P10275 1/20 0.35
IDH1 O75874 1/20 0.35
CYP11B1 P15538 1/20 0.35
ACSL1 P33121 1/20 0.35

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
SCHEMBL4808827 0.89 CYP3A4 (0.48) CYP3A4FNTAFNTBPGGT1BP2RX3
SCHEMBL4805105 0.85 APOBEC3G (0.41) CYP3A4FNTAFNTBPGGT1BPPARG
SCHEMBL5375295 0.81 CYP3A4 (0.47) CYP3A4FNTAFNTBPGGT1BP2RX3
SCHEMBL5364632 0.81 CYP3A4 (0.47) CYP3A4FNTAFNTBPGGT1BP2RX3
SCHEMBL4801931 0.80 CYP3A4 (0.55) CYP3A4FNTAFNTBPGGT1BP2RX3
SCHEMBL4807122 0.77 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19KCNH2MTNR1B
SCHEMBL4805444 0.75 CYP3A4 (0.45) CYP3A4FNTAFNTBPGGT1BCYP2C9
SCHEMBL4807235 0.73 APOBEC3G (0.40) CYP3A4FNTAFNTBPGGT1BKCNH2
SCHEMBL5364936 0.73 PRMT5 (0.40) CYP3A4FNTAFNTBPGGT1BP2RX3
SCHEMBL14570769 0.73 CYP3A4 (0.53) CYP3A4FNTAFNTBPGGT1BP2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7348345-B2 Nonnucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2008-03-25 US disclosed
US-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors DUNN JAMES P 2007-08-02 US disclosed
US-7208509-B2 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC (US) 2007-04-24 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-20070179157-A1 Nonnucleoside reverse transcriptase inhibitors RRM2, RRM2B, SAMHD1 CYP3A4 438/4885FNTA 1982/4885FNTB 759/4885

“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.