SCHEMBL3451983

SCHEMBL3451983

CC(C)c1ccc(-c2csc(C(NCCC(=O)NS(=O)(=O)c3ccccc3)c3cccs3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
KDM1A O60341 2/20 0.37
MAPK1 P28482 4/20 0.36
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
PKM P14618 1/20 0.36
ALOX15 P16050 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL3453390 0.93 KDM1A (0.40) KDM1AUSP2ALOX15MEN1KMT2A
SCHEMBL3453701 0.93 LMNA (0.39) MAPTMAPK1ALDH1A1USP2MEN1
SCHEMBL3453876 0.90 TRPA1 (0.35) MAPTMAPK1ALDH1A1HDAC3HDAC4
SCHEMBL3452789 0.77 DHODH (0.40) MAPTMAPK1ALDH1A1MEN1KMT2A
SCHEMBL5161880 0.76 RAB9A (0.42) MAPTALDH1A1HDAC3HDAC1HDAC2
SCHEMBL3451985 0.75 MEN1 (0.41) MAPTKDM1AMAPK1ALDH1A1PKM
SCHEMBL3451928 0.75 TRPA1 (0.38) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5163151 0.74 MEP1B (0.41) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL3452514 0.73 RAB9A (0.40) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL3451446 0.72 PTPRB (0.39) MAPTHDAC3HDAC4HDAC1HDAC7

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 MAPT 3732/4885KDM1A 2868/4885MAPK1 3533/4885

“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.