SCHEMBL1032671

SCHEMBL1032671

Cc1nc(NC(=O)c2cccc3ccc(-c4cccc(N5CCOCC5)c4)nc23)sc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.47
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ATR Q13535 1/20 0.43
LRRK2 Q5S007 2/20 0.42
KCNK3 O14649 1/20 0.42
DGAT1 O75907 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKT1 P31749 1/20 0.40
TRPV3 Q8NET8 1/20 0.40
PHGDH O43175 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
SETD2 Q9BYW2 1/20 0.40
SLC27A1 Q6PCB7 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1204609 0.88 POLQ (0.53) POLQRAB9ANPC1ATRLRRK2
SCHEMBL1035704 0.87 POLQ (0.51) POLQRAB9ANPC1ATRDGAT1
SCHEMBL1031618 0.86 LRRK2 (0.60) RAB9ANPC1MEN1KMT2AATR
SCHEMBL1076548 0.86 POLQ (0.47) POLQRAB9ANPC1MEN1KMT2A
SCHEMBL1035037 0.83 LMNA (0.53) POLQRAB9ANPC1MEN1KMT2A
SCHEMBL1076488 0.83 POLQ (0.44) POLQRAB9ANPC1MEN1KMT2A
SCHEMBL1075258 0.83 RAB9A (0.47) POLQRAB9ANPC1ATRSMN1; SMN2
SCHEMBL12661933 0.83 PARP1 (0.47) POLQRAB9ANPC1MEN1KMT2A
SCHEMBL1034084 0.83 ATR (0.45) POLQRAB9ANPC1ATRDGAT1
SCHEMBL1035334 0.82 POLQ (0.44) POLQRAB9ANPC1MEN1KMT2A

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 6 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
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 POLQ 1064/4885RAB9A 660/4885NPC1 3386/4885

“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.