SCHEMBL3476576

SCHEMBL3476576

Cc1nc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.50
CHEK2 O96017 1/20 0.45
CACNA1B Q00975 1/20 0.44
SCN10A Q9Y5Y9 1/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
RUNX1 Q01196 2/20 0.42
CBFB Q13951 1/20 0.42
EGLN1 Q9GZT9 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GSK3B P49841 1/20 0.41
TYMS P04818 1/20 0.41
KIF11 P52732 1/20 0.41

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
SCHEMBL14475012 0.89 TRPV1 (0.54) TRPV1SCN10ARUNX1CBFBEGLN1
SCHEMBL14475117 0.81 KDM4E (0.45) TRPV1SCN10ARUNX1CBFBCYP1A2
SCHEMBL12597034 0.79 ALKBH3 (0.49) CHEK2CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL3431395 0.77 HTT (0.56) TRPV1CHEK2CACNA1BRUNX1CBFB
SCHEMBL3473462 0.76 SMN1; SMN2 (0.47) CHEK2POLBL3MBTL1KIF11
SCHEMBL620809 0.75 KDM4E (0.55) RUNX1EGLN1CYP1A2CYP3A4CYP2C9
SCHEMBL3344258 0.74 KDM4E (0.43) TRPV1PIM1PIM2CYP1A2CYP3A4
SCHEMBL3377158 0.73 SMN1; SMN2 (0.47) POLBL3MBTL1KIF11
SCHEMBL12907448 0.73 GSK3B (0.58) POLBL3MBTL1GSK3B
SCHEMBL3433915 0.72 AURKA (0.44) TRPV1KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US claimed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 US claimed
US-8912190-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-12-16 US disclosed
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-08-01 US disclosed
US-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-05-06 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-20100113461-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TRPV1 25/4885CHEK2 3509/4885CACNA1B 37/4885
US-20130197001-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, KCNJ2, KCNH2 TRPV1 25/4885CHEK2 3509/4885CACNA1B 37/4885

“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.