SCHEMBL3451669

SCHEMBL3451669

CC(C)c1ccc(-c2csc(NC3CCCC3)n2)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.67
RAB9A P51151 2/20 0.67
TYR P14679 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ITGB3 P05106 3/20 0.48
ITGA2B P08514 3/20 0.48
NPY5R Q15761 1/20 0.47
KCNQ1 P51787 1/20 0.47
MAOB P27338 6/20 0.45
MAOA P21397 4/20 0.45
PI4KB Q9UBF8 1/20 0.45
CXCR3 P49682 2/20 0.43

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
SCHEMBL3451587 0.84 ITGB3 (0.52) NPC1RAB9ALMNAMAPTALOX12
SCHEMBL1821159 0.80 RAB9A (1.00) NPC1RAB9ATYRLMNAMAPT
SCHEMBL3453821 0.80 NPC1 (0.47) NPC1RAB9ALMNAMAPTALOX12
SCHEMBL3453174 0.78 NPC1 (0.48) NPC1RAB9ALMNAMAPTALOX12
SCHEMBL1473691 0.77 RAB9A (0.69) NPC1RAB9ATYRLMNAMAPT
SCHEMBL17948276 0.76 TYR (0.63) NPC1RAB9ATYRLMNAMAPT
SCHEMBL12894445 0.75 NPC1 (0.50) NPC1RAB9ATYRPI4KB
SCHEMBL3607468 0.72 ABL1 (0.51) NPC1RAB9ALMNAMAPTALOX12
SCHEMBL1474528 0.71 RAB9A (0.60) NPC1RAB9ALMNAMAPTHTT
SCHEMBL3453823 0.71 TYR (0.55) NPC1RAB9ATYRMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 US disclosed
CN-1946703-A Substituted thiazole and pyrimidine derivatives as melanocortin receptor modulators TRANSTECH PHARMA INC (US) 2007-04-11 CN disclosed
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP disclosed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US disclosed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 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-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use MC5R, MC3R, MC4R NPC1 952/4885RAB9A 1296/4885TYR 18/4885

“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.