SCHEMBL3453390

SCHEMBL3453390

CC(C)c1ccc(-c2csc(C(NCCC(=O)NS(=O)(=O)c3ccc(Cl)cc3)c3cccs3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.40
PAX8 Q06710 1/20 0.39
MAOA P21397 2/20 0.39
RORC P51449 1/20 0.39
GCGR P47871 1/20 0.38
GIPR P48546 1/20 0.38
POLB P06746 2/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALOX15 P16050 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL3451983 0.93 MAPT (0.37) KDM1ALMNAMEN1KMT2AALOX15
SCHEMBL3453701 0.93 LMNA (0.39) POLBLMNAMEN1KMT2AUSP2
SCHEMBL3453876 0.88 TRPA1 (0.35) GCGRGIPRLMNAMEN1KMT2A
SCHEMBL3453392 0.76 NPC1 (0.41) KDM1APAX8MAOARORCPOLB
SCHEMBL3451928 0.74 TRPA1 (0.38) MEN1KMT2A
SCHEMBL3452514 0.74 RAB9A (0.40) GCGRGIPRLMNAMEN1KMT2A
SCHEMBL5161880 0.73 RAB9A (0.42) GCGRGIPRPOLBMEN1KMT2A
SCHEMBL3452789 0.72 DHODH (0.40) LMNAMEN1KMT2A
SCHEMBL3452543 0.72 MRE11 (0.36) GCGRGIPR
SCHEMBL5163151 0.71 MEP1B (0.41)

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 KDM1A 2868/4885PAX8 4179/4885MAOA 211/4885

“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.