SCHEMBL4035341

SCHEMBL4035341

Cc1c(-c2cccc(OC(F)(F)F)c2)cccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
DHODH Q02127 2/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.40
EIF4E P06730 1/20 0.39
XDH P47989 2/20 0.38
GALR1 P47211 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
TRPC5 Q9UL62 1/20 0.38
KCNH2 Q12809 1/20 0.38
SCN10A Q9Y5Y9 1/20 0.38
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37

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
SCHEMBL4033040 0.81 DHODH (0.42) TDP1DHODHNPC1CASP3RAB9A
SCHEMBL9550137 0.76 TDP1 (0.56) TDP1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL5157627 0.75 TDP1 (0.69) TDP1TSHRSMN1; SMN2MAPK1ALDH1A1
SCHEMBL2382375 0.75 TDP1 (0.59) TDP1DHODHCASP3SENP7TSHR
SCHEMBL5542629 0.74 ADORA2A (0.47) DHODHXDHGALR1ADORA2AADORA1
SCHEMBL27843148 0.74 TDP1 (0.58) TDP1NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL9550119 0.73 TDP1 (0.78) TDP1NPC1TSHRSMN1; SMN2MAPK1
SCHEMBL1033797 0.73 XDH (0.46) DHODHNPC1CASP3RAB9ASENP7
SCHEMBL24155937 0.72 MAPT (0.42) DHODHNPC1CASP3RAB9ASENP7
SCHEMBL2671406 0.72 RAB9A (0.47) DHODHNPC1CASP3RAB9ASENP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
US-7928238-B2 1,2,3,4-tetrahydro-quinoline derivatives as CETP inhibitors JANSSEN PHARMACEUTICA NV (BE) 2011-04-19 US disclosed
EP-2034998-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2009-03-18 EP disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
WO-2008079427-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-03 WO disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 US disclosed
US-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-15 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-20070265304-A1 1,2,3,4-TETRAHYDRO-QUINOLINE DERIVATIVES AS CETP INHIBITORS CETP, NPC1, CES1 TDP1 649/4885DHODH 1784/4885NPC1 2/4885

“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.