SCHEMBL1076409

SCHEMBL1076409

Cc1nnc(NC(=O)c2cccc3ccc(-c4cccc(N5CCOCC5)c4)nc23)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
ATR Q13535 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK14 Q16539 2/20 0.43
POLQ O75417 1/20 0.43
LCK P06239 1/20 0.43
CSF1R P07333 1/20 0.43
KDR P35968 1/20 0.43
MAP2K1 Q02750 1/20 0.43
AKT1 P31749 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
DGAT1 O75907 2/20 0.40
SETD2 Q9BYW2 1/20 0.40

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
SCHEMBL1075258 0.84 RAB9A (0.47) NPC1RAB9AATRALDH1A1POLQ
SCHEMBL1204609 0.83 POLQ (0.53) NPC1RAB9AATRALDH1A1POLQ
SCHEMBL1035334 0.82 POLQ (0.44) NPC1RAB9AATRPOLQAKT1
SCHEMBL1077048 0.82 NPSR1 (0.53) NPC1RAB9AATRMAPK14KDR
SCHEMBL1076548 0.82 POLQ (0.47) NPC1RAB9AATRKDM4EALDH1A1
SCHEMBL1032671 0.82 POLQ (0.47) NPC1RAB9AATRALDH1A1POLQ
SCHEMBL1034084 0.82 ATR (0.45) NPC1RAB9AATRMAPK14POLQ
SCHEMBL1076266 0.81 SIRT2 (0.46) NPC1RAB9AATRPOLQTRPV3
SCHEMBL1035704 0.81 POLQ (0.51) NPC1RAB9AATRKDM4EALDH1A1
SCHEMBL1076488 0.81 POLQ (0.44) NPC1RAB9AATRALDH1A1POLQ

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 NPC1 3386/4885RAB9A 660/4885ATR 1057/4885

“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.