SCHEMBL1034141

SCHEMBL1034141

O=C(Nc1cccc2ccc(-c3cc(F)cc(C(F)(F)F)c3)nc12)c1cnccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
BRAF P15056 1/20 0.46
ALDH1A1 P00352 4/20 0.43
ALOX15 P16050 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HTT P42858 3/20 0.42
CDC25A P30304 1/20 0.42

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
SCHEMBL1035032 0.90 BRAF (0.52) SMN1; SMN2BRAFALDH1A1ALOX15TSHR
SCHEMBL1034304 0.90 TLR7 (0.46) SMN1; SMN2BRAFALDH1A1MAPTMEN1
SCHEMBL1034906 0.85 CYP2C9 (0.40) ALDH1A1MEN1KMT2ANTRK1
SCHEMBL1031581 0.85 RXFP1 (0.48) BRAFKMT2ATP53RAB9AHDAC6
SCHEMBL17772339 0.84 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL1032970 0.83 SMN1; SMN2 (0.48) SMN1; SMN2BRAFALDH1A1ALOX15TSHR
SCHEMBL1035141 0.82 KDR (0.48) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL1033349 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL1033932 0.82 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT
SCHEMBL1034504 0.81 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1ALOX15TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102083438-B The quinoline of conditioning agent and related analogs as silent message regulatory factor 西特里斯药业公司 2016-11-09 CN disclosed
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
CN-102083438-A Quenolines and related analogs as sirtuin modulators SIRTRIS PHARMACEUTICALS INC 2011-06-01 CN 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 2735/4885BRAF 3098/4885ALDH1A1 2326/4885

“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.