SCHEMBL3453389

SCHEMBL3453389

CC(C)c1ccc(-c2csc(N(Cc3cccs3)C(=O)c3ccncc3C(=O)O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 1/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 2/20 0.42
GRM1 Q13255 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPRB P23467 2/20 0.40
PTPRF P10586 1/20 0.40
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN11 Q06124 1/20 0.40
GSTO1 P78417 2/20 0.40

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
SCHEMBL3451555 0.97 MEN1 (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3453505 0.96 MEN1 (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL13109588 0.90 MEN1 (0.47) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3453502 0.90 NPC1 (0.43) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3453030 0.89 MEN1 (0.47) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL13109582 0.86 KDM4E (0.45) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3452576 0.85 KDM4E (0.44) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL13109591 0.84 GRM1 (0.40) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL13109595 0.83 KDM4E (0.45) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL3453028 0.83 KMT2A (0.46) MEN1KMT2AL3MBTL1KDM4EALDH1A1

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 2 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
US-20050261294-A1 Substituted heteroaryl derivatives, compositions, and methods of use VTVX HOLDINGS I LLC 2005-11-24 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 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.