SCHEMBL3451935

SCHEMBL3451935

CC(C)c1ccc(-c2csc(N(Cc3cccs3)Cc3ccccc3C(=O)O)n2)cc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
DHODH Q02127 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 3/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
GRM1 Q13255 2/20 0.37
HTT P42858 1/20 0.37
CPB1 P15086 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL3452792 0.99 MEN1 (0.42) MEN1KMT2AL3MBTL1DHODHALDH1A1
SCHEMBL3451929 0.90 MEN1 (0.40) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL13109591 0.89 GRM1 (0.40) MEN1KMT2AL3MBTL1DHODHALDH1A1
SCHEMBL3451667 0.86 MEN1 (0.41) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL3452548 0.85 MRGPRX4 (0.41) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL3453030 0.84 MEN1 (0.47) MEN1KMT2AL3MBTL1DHODHALDH1A1
SCHEMBL3452519 0.84 KDM4E (0.44) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL13109743 0.84 KDM4E (0.43) MEN1KMT2AL3MBTL1ALDH1A1KDM4E
SCHEMBL13109689 0.84 TRPM8 (0.40) MEN1KMT2AL3MBTL1DHODHALDH1A1
SCHEMBL5163155 0.84 MRGPRX4 (0.42) MEN1KMT2AL3MBTL1ALDH1A1KDM4E

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 2090/4885L3MBTL1 4215/4885

“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.