SCHEMBL3453550

SCHEMBL3453550

CC(C)c1ccc(-c2csc(N(CCC#N)Cc3cccs3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
TP53 P04637 1/20 0.37
LMNA P02545 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35

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
SCHEMBL3452179 0.83 GCGR (0.44) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL3451624 0.82 ALDH1A1 (0.35) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL3452451 0.82 ALDH1A1 (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3453214 0.81 ALDH1A1 (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL1833263 0.81 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL13109739 0.81 PPARD (0.43) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL3452022 0.81 MEN1 (0.41) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL13109743 0.80 KDM4E (0.43) ALDH1A1MAPTMEN1KMT2ANPC1
Hydrochloric Acid SCHEMBL3452295 0.80 KDM4E (0.43) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL3453160 0.79 KDM4E (0.34) ALDH1A1MAPTMEN1KMT2ANPC1

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 ALDH1A1 1513/4885MAPT 3732/4885MEN1 1990/4885

“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.