SCHEMBL5161886

SCHEMBL5161886

CC(C)c1ccc(-c2csc(N(Cc3ccc(C(=O)O)cc3)Cc3cccs3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.45
RAB9A P51151 6/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
GCGR P47871 4/20 0.44
GIPR P48546 4/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
HTT P42858 2/20 0.43
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 3/20 0.41
PTGES O14684 1/20 0.41
ALOX5 P09917 1/20 0.41
HPGD P15428 1/20 0.41
CPB1 P15086 1/20 0.40
LMNA P02545 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL3452519 0.99 KDM4E (0.44) KDM4ERAB9ANPC1SMN1; SMN2GCGR
SCHEMBL3452518 0.91 GCGR (0.41) KDM4ERAB9ANPC1SMN1; SMN2GCGR
SCHEMBL5163155 0.91 MRGPRX4 (0.42) KDM4ERAB9ANPC1SMN1; SMN2GCGR
SCHEMBL3452548 0.90 MRGPRX4 (0.41) KDM4ERAB9ANPC1SMN1; SMN2GCGR
SCHEMBL13109743 0.85 KDM4E (0.43) KDM4ERAB9ANPC1SMN1; SMN2GCGR
Hydrochloric Acid SCHEMBL3452295 0.84 KDM4E (0.43) KDM4ERAB9ANPC1SMN1; SMN2GCGR
SCHEMBL3452792 0.84 MEN1 (0.42) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL13109702 0.84 TRPM8 (0.41) KDM4ERAB9ANPC1SMN1; SMN2MEN1
SCHEMBL3452546 0.84 MEN1 (0.39) KDM4ERAB9ANPC1SMN1; SMN2GCGR
SCHEMBL3452179 0.83 GCGR (0.44) KDM4ERAB9ANPC1SMN1; SMN2GCGR

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
CN-1946703-A Substituted thiazole and pyrimidine derivatives as melanocortin receptor modulators TRANSTECH PHARMA INC (US) 2007-04-11 CN claimed
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 KDM4E 2378/4885RAB9A 1296/4885NPC1 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.