SCHEMBL1034416

SCHEMBL1034416

Cc1nc(NC(=O)c2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)sc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.48
MEN1 O00255 5/20 0.48
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
RXFP1 Q9HBX9 1/20 0.48
NCS1 P62166 1/20 0.43
PKM P14618 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
MCOLN3 Q8TDD5 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
SCHEMBL1034840 0.86 SMN1; SMN2 (0.59) KMT2AMEN1RAB9ANPC1NCS1
SCHEMBL1031845 0.86 ALDH1A1 (0.45) KMT2AMEN1RAB9ANPC1NCS1
SCHEMBL1034646 0.85 BCL2L1 (0.55) KMT2AMEN1RAB9ANPC1NCS1
SCHEMBL1032901 0.85 NPC1 (0.50) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL1074924 0.84 ALDH1A1 (0.52) KMT2AMEN1RAB9ANPC1NCS1
SCHEMBL1034077 0.83 RAB9A (0.53) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL1034835 0.82 SIRT2 (0.51) KMT2AMEN1RAB9ANPC1PKM
SCHEMBL1034332 0.82 SCN9A (0.49) ALDH1A1HPGDHTTMAPTHSD17B10
SCHEMBL12673389 0.81 PARP1 (0.61) KMT2AMEN1RAB9ANPC1RXFP1
SCHEMBL1031016 0.81 USP2 (0.56) KMT2AMEN1RAB9ANPC1SMN1; SMN2

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
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

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 KMT2A 997/4885MEN1 2841/4885RAB9A 660/4885

“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.