SCHEMBL4427485

SCHEMBL4427485

COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
CASP3 P42574 1/20 0.60
SENP8 Q96LD8 1/20 0.60
SENP7 Q9BQF6 1/20 0.60
SENP6 Q9GZR1 1/20 0.60
MAPT P10636 3/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM1A O60341 1/20 0.51
KMO O15229 2/20 0.50
CFTR P13569 1/20 0.50
ALDH1A1 P00352 3/20 0.48
XDH P47989 1/20 0.48
DHODH Q02127 1/20 0.47
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47

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
SCHEMBL1549772 0.85 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL29419185 0.84 NPC1 (0.71) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL19895158 0.84 NPC1 (0.71) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL19895171 0.82 NPC1 (0.71) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL19895114 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL29419179 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL19895162 0.82 SMN1; SMN2 (0.59) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL5005835 0.80 NPC1 (0.54) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL16855336 0.80 PTGER4 (0.60) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL30285066 0.79 RORB (0.61) CFTRALDH1A1

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-7495001-B2 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2009-02-24 US disclosed
CN-1875001-A Benzocyclolated compounds as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-06 CN disclosed
US-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096336-A1 Benzannelated derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG SMN1; SMN2 2906/4885NPC1 867/4885RAB9A 1563/4885

“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.