SCHEMBL1035141

SCHEMBL1035141

O=C(Nc1cccc2ccc(-c3cc(F)cc(C(F)(F)F)c3)nc12)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.48
ALDH1A1 P00352 2/20 0.47
P2RX1 P51575 1/20 0.45
RXFP1 Q9HBX9 3/20 0.45
HDAC2 Q92769 1/20 0.44
PTGS1 P23219 2/20 0.43
GAA P10253 1/20 0.43
NTRK1 P04629 1/20 0.42
KCNK3 O14649 1/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL1031581 0.92 RXFP1 (0.48) KDRRXFP1PTGS1GAANTRK1
SCHEMBL1034304 0.87 TLR7 (0.46) KDRALDH1A1HDAC2MAPTMEN1
SCHEMBL1034141 0.82 SMN1; SMN2 (0.48) ALDH1A1HDAC2GAANTRK1MAPT
SCHEMBL1034906 0.82 CYP2C9 (0.40) ALDH1A1NTRK1MEN1KMT2ACYP3A4
SCHEMBL1034612 0.81 KDR (0.48) KDRALDH1A1HDAC2MAPTMEN1
SCHEMBL1029916 0.77 HDAC1 (0.52) KDRTP53
SCHEMBL1034793 0.76 ALDH1A1 (0.48) ALDH1A1RXFP1PTGS1GAAMAPT
SCHEMBL1034276 0.76 THRB (0.58) ALDH1A1RXFP1GAAMAPTMEN1
SCHEMBL17772337 0.75 KDR (0.53) KDRALDH1A1GAAMAPTMEN1
SCHEMBL1035541 0.75 KAT6A (0.48) KDRALDH1A1MEN1KMT2ARAB9A

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 KDR 1845/4885ALDH1A1 2326/4885P2RX1 1382/4885

“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.