SCHEMBL3451282

SCHEMBL3451282

Cc1ccc(-c2nc(N(CCC(=O)OC(C)(C)C)C3CCCC3)sc2Cl)c(C)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
S1PR1 P21453 3/20 0.34
MDM2 Q00987 1/20 0.33
TP53 P04637 1/20 0.33
RABGGTB P53611 1/20 0.32
RABGGTA Q92696 1/20 0.32
CNR1 P21554 2/20 0.32
PI4KB Q9UBF8 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
CNR2 P34972 1/20 0.32
NPC1 O15118 2/20 0.31

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
SCHEMBL3452467 0.88 KDM4E (0.42) MEN1KMT2AKDM4EALDH1A1PTGDR2
Hydrochloric Acid SCHEMBL3453962 0.87 KDM4E (0.41) MEN1KMT2AKDM4EALDH1A1PTGDR2
SCHEMBL13109481 0.73 CNR1 (0.44) CNR1CNR2NPC1RAB9A
SCHEMBL3453729 0.72 CNR1 (0.42) CNR1CNR2NPC1RAB9A
SCHEMBL3451898 0.70 CNR1 (0.33) ALDH1A1CNR1
SCHEMBL13109465 0.69 ITGB3 (0.47) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL3453013 0.68 ITGB3 (0.46) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL13109470 0.67 PTGDR2 (0.40) KMT2AKDM4EALDH1A1PTGDR2GAA
SCHEMBL3452036 0.67 MAPT (0.44) KMT2AGAAMAPTTP53PI4KB
SCHEMBL13109480 0.66 FFAR4 (0.38) MEN1KMT2AALDH1A1PTGDR2NPC1

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 4 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
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 MEN1 1990/4885KMT2A 2090/4885KDM4E 2378/4885

“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.