SCHEMBL1035333

SCHEMBL1035333

O=C(Nc1ccc(Cl)cn1)c1cccc2ccc(-c3cccnc3)nc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
SCN5A Q14524 1/20 0.53
SCN9A Q15858 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ALOX15 P16050 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 5/20 0.50
CYP2C9 P11712 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MEN1 O00255 3/20 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
SCHEMBL1030075 0.87 FGFR4 (0.48) SMN1; SMN2NPC1RAB9ACYP2C9CYP1A2
SCHEMBL1031026 0.85 ATR (0.57) SMN1; SMN2NPC1RAB9AKMT2ACYP2C9
SCHEMBL1036245 0.84 ATR (0.58) SMN1; SMN2TDP1KMT2ACYP2C9CYP1A2
SCHEMBL1034164 0.84 SIRT2 (0.54) SMN1; SMN2NPC1RAB9AALOX15HTT
SCHEMBL1033644 0.84 FGFR4 (0.56) SMN1; SMN2NPC1RAB9ATDP1ALOX15
SCHEMBL1034842 0.81 SIRT2 (0.51) SMN1; SMN2NPC1RAB9AKMT2ACYP2C9
SCHEMBL1031934 0.80 EGLN1 (0.60) SMN1; SMN2NPC1RAB9AKMT2ACYP2C9
SCHEMBL1033357 0.80 KMT2A (0.53) KMT2AALDH1A1
SCHEMBL1033121 0.79 F10 (0.62) NPC1RAB9A
SCHEMBL1034242 0.79 ALDH1A1 (0.54) NPC1RAB9AHTTCYP2C9ALDH1A1

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
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
EP-2273992-B1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-25 EP disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
US-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2011-02-24 US disclosed
EP-2273992-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2011-01-19 EP disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed
WO-2009134973-A1 QUENOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2009-11-05 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-20110046110-A1 QUINOLINES AND RELATED ANALOGS AS SIRTUIN MODULATORS SIRT3, SIRT1, SIRT2 SMN1; SMN2 2735/4885SCN5A 1781/4885SCN9A 3526/4885

“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.