SCHEMBL4480751

SCHEMBL4480751

N#Cc1ccc(Oc2ccc(N)nc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.56
SCN9A Q15858 2/20 0.51
KCNH2 Q12809 1/20 0.51
SCN5A Q14524 1/20 0.51
PARP15 Q460N3 1/20 0.49
PARP10 Q53GL7 1/20 0.49
PARP2 Q9UGN5 1/20 0.49
LTA4H P09960 1/20 0.47
MPO P05164 1/20 0.46
TPO P07202 1/20 0.46
EPX P11678 1/20 0.46
LPO P22079 1/20 0.46
TTBK1 Q5TCY1 1/20 0.45
TTBK2 Q6IQ55 1/20 0.45
MAP4K4 O95819 1/20 0.44
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL29564176 0.84 LTA4H (0.60) LTA4HMPOTPOEPXLPO
SCHEMBL4475083 0.82 MAP4K4 (0.48) CYP19A1MPOTPOEPXLPO
SCHEMBL13895544 0.81 CYP19A1 (0.59) CYP19A1SCN9AKCNH2SCN5APARP15
SCHEMBL4371418 0.79 MAP4K4 (0.49) CYP19A1SCN9AKCNH2SCN5APARP15
SCHEMBL26013341 0.79 ALDH1A1 (0.61) PARP10LTA4HMPOTPOEPX
SCHEMBL15584627 0.79 CYP19A1 (0.56) CYP19A1SCN9AKCNH2SCN5APARP15
SCHEMBL2707449 0.79 CYP19A1 (0.56) CYP19A1SCN9AKCNH2SCN5APARP15
SCHEMBL4376200 0.79 CYP19A1 (0.60) CYP19A1SCN9AKCNH2SCN5APARP15
SCHEMBL29729202 0.78
SCHEMBL221465 0.78

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-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
US-7517992-B2 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2009-04-14 US disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
EP-1534276-B1 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2008-11-05 EP disclosed
US-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors MEDIVIR AB (SE) 2006-07-27 US disclosed
EP-1534276-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2005-06-01 EP disclosed
WO-2004021969-A2 NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS MEDIVIR AB (SE) 2004-03-18 WO 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-20060167055-A1 Non-nucleoside reverse transcriptase inhibitors POLR2H, POLR2E, POLR1E CYP19A1 2152/4885SCN9A 343/4885KCNH2 1410/4885

“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.