SCHEMBL11296100

SCHEMBL11296100

CN1CCN(c2ccc(NS(=O)(=O)Cc3ccc(C(=O)Nc4cccnc4)cc3)cc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 4/20 0.55
FLT3 P36888 2/20 0.55
AURKA O14965 1/20 0.55
KDR P35968 1/20 0.55
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
TRPV1 Q8NER1 2/20 0.52
LRRK2 Q5S007 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 2/20 0.49
HPGD P15428 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
HSD17B10 Q99714 1/20 0.49
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL995502 0.83 NAMPT (0.65) NAMPTNPC1RAB9ATRPV1LMNA
SCHEMBL12078323 0.83 NAMPT (0.71) NAMPTFLT3AURKAKDRTRPV1
SCHEMBL996378 0.81 NAMPT (0.72) NAMPTNPC1RAB9ATRPV1MEN1
SCHEMBL995756 0.81 CYP11B1 (0.69) NAMPTTRPV1MEN1KMT2ASMN1; SMN2
SCHEMBL12078113 0.77 NAMPT (0.66) NAMPTFLT3AURKATRPV1LRRK2
SCHEMBL3393246 0.74 FLT3 (0.54) NAMPTFLT3AURKAKDRNPC1
SCHEMBL12078712 0.73 NAMPT (0.71) NAMPTNPC1RAB9AMEN1KMT2A
SCHEMBL12078884 0.72 NAMPT (0.70) NAMPTMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL11300651 0.72 NAMPT (0.59) NAMPTTRPV1SMN1; SMN2TSHRUSP2
SCHEMBL28797316 0.72 MAPT (0.69) NPC1RAB9AMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 US claimed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP claimed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 US claimed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US claimed
WO-2012100223-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT IRWIN JOHN (US) 2012-07-26 WO claimed
US-9079859-B2 Synthetic lethal targeting of glucose transport AUCKLAND UNISERVICES LIMITED (NZ) 2015-07-14 US disclosed
EP-2456435-B1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE UNIV LELAND STANFORD JUNIOR (US) 2015-06-24 EP disclosed
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT RUGA CORPORATION 2014-05-08 US disclosed
US-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2014-02-20 US disclosed
US-8440652-B2 MST1 kinase inhibitors and methods of their use LEXICON PHARMACEUTICALS, INC. (US) 2013-05-14 US disclosed
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-09-06 US disclosed
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE AUCKLAND UNIVSERVICES LIMITED (NZ) 2012-09-06 US 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 (4 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-20140051681-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 NAMPT 1063/4885FLT3 434/4885AURKA 830/4885
US-20120225862-A1 HETEROARYL BENZAMIDES, COMPOSITIONS AND METHODS OF USE BRDT, NISCH, PAICS NAMPT 624/4885FLT3 656/4885AURKA 2838/4885
US-20120225857-A1 MST1 KINASE INHIBITORS AND METHODS OF THEIR USE MST1, STK10, STK3 NAMPT 1063/4885FLT3 434/4885AURKA 830/4885
US-20140128397-A1 SYNTHETIC LETHAL TARGETING OF GLUCOSE TRANSPORT SLC2A1, SLC2A3, SLC2A2 NAMPT 601/4885FLT3 1113/4885AURKA 2829/4885

“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.