SCHEMBL7125440

SCHEMBL7125440

CC(C)(C)OC(=O)Nc1ccc(-c2csc(N)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SREBF2 Q12772 1/20 0.58
RAB9A P51151 4/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MEN1 O00255 2/20 0.56
POLB P06746 2/20 0.56
MAPT P10636 2/20 0.56
GAA P10253 2/20 0.56
NPC1 O15118 3/20 0.53
PSMB8 P28062 1/20 0.51
CYP17A1 P05093 2/20 0.50
MAP4K4 O95819 1/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.48
LTA4H P09960 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
MKNK2 Q9HBH9 1/20 0.48
HDAC3 O15379 5/20 0.46
HDAC1 Q13547 4/20 0.46
HDAC10 Q969S8 4/20 0.46

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
SCHEMBL7121746 0.85 HDAC3 (0.63) SREBF2RAB9AKMT2AALDH1A1MEN1
SCHEMBL16329646 0.85 SREBF2 (0.56) SREBF2RAB9AKMT2AALDH1A1MEN1
SCHEMBL18618793 0.82 HDAC3 (0.56) SREBF2RAB9AKMT2AALDH1A1MEN1
SCHEMBL2582485 0.81 LTA4H (0.48) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL7472746 0.81 RAB9A (0.50) SREBF2RAB9AALDH1A1MAPTNPC1
SCHEMBL126387 0.80 KMT2A (0.66) RAB9AKMT2AALDH1A1MEN1POLB
SCHEMBL16640661 0.80 SREBF2 (0.41) SREBF2KMT2AALDH1A1MEN1MAPT
SCHEMBL8321552 0.79 MAPT (0.66) SREBF2RAB9AKMT2AALDH1A1MEN1
Methane SCHEMBL28036476 0.79 CYP17A1 (0.58) RAB9AKMT2AMEN1POLBMAPT
SCHEMBL7462528 0.79 RAB9A (0.53) SREBF2RAB9AKMT2AALDH1A1MEN1

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
WO-2017040564-A1 HDAC INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2017-03-09 WO disclosed
CN-1440383-A PPAR gamma modulators SANKYO CO (JP) 2003-09-03 CN disclosed
US-20030134859-A1 PPAR-gamma modulator SANKYO COMPANY, LIMITED (JP) 2003-07-17 US disclosed
EP-1277729-A1 PPAR (GAMMA) MODULATORS Sankyo Company, Limited (JP) 2003-01-22 EP 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-20030134859-A1 PPAR-gamma modulator PPARG, PPARA, PPARD SREBF2 44/4885RAB9A 1179/4885KMT2A 3291/4885

“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.