SCHEMBL985553

SCHEMBL985553

O=C(O)c1cc(OCCN2CCOCC2)cc(-c2ccccc2)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 3/20 0.53
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
KMO O15229 4/20 0.51
ACHE P22303 2/20 0.49
BCHE P06276 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
LTA4H P09960 1/20 0.49
ADORA2A P29274 2/20 0.48
ADORA1 P30542 2/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2B P29275 1/20 0.48
ALDH1A1 P00352 1/20 0.48
POLB P06746 1/20 0.48
PDGFRB P09619 1/20 0.48
PDGFRA P16234 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
SCHEMBL5670325 0.91 ROCK1 (0.53) NPC1RAB9AKDM4ETP53TSHR
SCHEMBL985081 0.88 PPARG (0.56) NPC1RAB9AKDM4ETP53TSHR
SCHEMBL2906146 0.87 ALDH1A1 (0.52) KDM4ELTA4HALDH1A1
SCHEMBL2929687 0.82 KDM4E (0.56) KDM4EALDH1A1POLB
SCHEMBL2929681 0.82 KDM4E (0.56) KDM4EALDH1A1POLB
SCHEMBL984214 0.81 ACKR3 (0.49)
SCHEMBL3100542 0.81 KDM4E (0.49) NPC1RAB9AKDM4ETP53TSHR
SCHEMBL2899930 0.77 MCL1 (0.52) KDM4EKMOALDH1A1
SCHEMBL1111239 0.76 P2RY12 (0.52)
SCHEMBL2909201 0.75 P2RY12 (0.49) KDM4EALDH1A1

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
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
US-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTIS PHARMACEUTICALS, INC. (US) 2011-01-13 US disclosed
EP-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 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-20110009381-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRT3, SIRT1, SIRT2 NPC1 1980/4885RAB9A 1763/4885KDM4E 3193/4885

“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.