SCHEMBL5162963

SCHEMBL5162963

CC(C)c1ccc(-c2csc(N(CCC(=O)O)Cc3ccc(Cl)cc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCGR P47871 9/20 0.49
GIPR P48546 9/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 4/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 3/20 0.44
KDM4E B2RXH2 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
AGTR1 P30556 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RAD52 P43351 1/20 0.42
GRM1 Q13255 1/20 0.42
PTGS2 P35354 1/20 0.42
ABL1 P00519 1/20 0.41

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
SCHEMBL13109423 0.92 KMT2A (0.53) GCGRGIPRNPC1RAB9AKMT2A
SCHEMBL27681553 0.91 NPC1 (0.47) GCGRGIPRNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3452289 0.91 KMT2A (0.52) GCGRGIPRNPC1RAB9AKMT2A
SCHEMBL3451999 0.90 NPC1 (0.47) GCGRGIPRNPC1RAB9AKMT2A
SCHEMBL13109453 0.89 NPC1 (0.48) NPC1RAB9AKMT2AMAPTMEN1
Hydrochloric Acid SCHEMBL3451575 0.88 NPC1 (0.48) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL13109462 0.87 GCGR (0.41) GCGRGIPRNPC1RAB9AKMT2A
Hydrochloric Acid SCHEMBL3452394 0.86 GCGR (0.40) GCGRGIPRNPC1RAB9AKMT2A
SCHEMBL13109463 0.86 GCGR (0.56) GCGRGIPR
Hydrochloric Acid SCHEMBL3452520 0.85 GCGR (0.55) GCGRGIPR

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
EP-1753735-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS Transtech Pharma, Inc. (US) 2007-02-21 EP claimed
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 US claimed
WO-2005103022-A1 SUBSTITUTED THIAZOLE AND PYRIMIDINE DERIVATIVES AS MELANOCORTIN RECEPTOR MODULATORS TRANSTECH PHARMA, INC. (US) 2005-11-03 WO claimed
US-7820704-B2 Substituted heteroaryl derivatives, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2010-10-26 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 (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 GCGR 16/4885GIPR 6/4885NPC1 952/4885

“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.