SCHEMBL1676359

SCHEMBL1676359

COc1cc(-c2ccc(-c3nc(-c4ccc(Cl)cc4Cl)cn3Cc3ccc(C(=O)O)cc3)cc2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KDM4E B2RXH2 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SUV39H2 Q9H5I1 2/20 0.44
SRD5A2 P31213 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.37
NLRP3 Q96P20 1/20 0.37
PTGER1 P34995 1/20 0.37
DGAT1 O75907 1/20 0.37
TTR P02766 1/20 0.37
MARS1 P56192 1/20 0.37
NEK2 P51955 1/20 0.36
CHEK1 O14757 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36

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
SCHEMBL1676307 0.89 SUV39H2 (0.41) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676309 0.89 SUV39H2 (0.41) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676534 0.87 SUV39H2 (0.41) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676020 0.87 NPC1 (0.56) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676279 0.86 SUV39H2 (0.42) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1481919 0.84 NPC1 (0.52) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676275 0.84 SUV39H2 (0.40) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1481698 0.82 NPC1 (0.47) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676334 0.82 SUV39H2 (0.41) NPC1RAB9AKDM4ECRHBPCRHR2
SCHEMBL1676332 0.82 SUV39H2 (0.41) NPC1RAB9AKDM4ECRHBPCRHR2

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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
US-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use TRANSTECH PHARMA, INC. (US) 2011-04-21 US disclosed
EP-1730118-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-12-13 EP disclosed
WO-2005080346-A1 SUBSTITUTED AZOLE DERIVATIVES, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-09-01 WO disclosed
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. 2005-08-25 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 (2 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-20110092553-A1 Substituted Azole Derivatives, Compositions, and Methods of Use PTPRO, PTPN5, PTPRE NPC1 3228/4885RAB9A 3396/4885KDM4E 733/4885
US-20050187277-A1 Substituted azole derivatives, compositions, and methods of use PTPRO, PTPN5, PTPRE NPC1 3228/4885RAB9A 3396/4885KDM4E 733/4885

“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.