SCHEMBL1034840

SCHEMBL1034840

Cc1nnc(NC(=O)c2cccc3ccc(-c4cccc(C(F)(F)F)c4)nc23)s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.59
KMT2A Q03164 3/20 0.59
HPGD P15428 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.45
HSD17B10 Q99714 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.42
AR P10275 1/20 0.42
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
NCS1 P62166 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
SCHEMBL1074924 0.90 ALDH1A1 (0.52) SMN1; SMN2KMT2AHPGDKDM4ENPC1
SCHEMBL1034416 0.86 KMT2A (0.48) SMN1; SMN2KMT2AHPGDKDM4ENPC1
SCHEMBL1031845 0.86 ALDH1A1 (0.45) SMN1; SMN2KMT2AHPGDKDM4ENPC1
SCHEMBL1032901 0.85 NPC1 (0.50) KMT2AHPGDKDM4ENPC1RAB9A
SCHEMBL1034332 0.83 SCN9A (0.49) HPGDALDH1A1HSD17B10TSHRMAPT
SCHEMBL1031951 0.83 SMN1; SMN2 (0.53) SMN1; SMN2KMT2AKDM4ENPC1RAB9A
SCHEMBL1034646 0.83 BCL2L1 (0.55) SMN1; SMN2KMT2AHPGDKDM4ENPC1
SCHEMBL1035365 0.82 PHGDH (0.46) CNR1CNR2
SCHEMBL1034835 0.82 SIRT2 (0.51) SMN1; SMN2KMT2AHPGDNPC1RAB9A
SCHEMBL12673246 0.81 PARP1 (0.61) SMN1; SMN2KMT2AHPGDKDM4ENPC1

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 2735/4885KMT2A 997/4885HPGD 359/4885

“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.