SCHEMBL3453201

SCHEMBL3453201

CC(C)c1ccc(-c2nccc(C(N)c3cccs3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
KDM4E B2RXH2 3/20 0.37
MEN1 O00255 1/20 0.37
AHR P35869 1/20 0.35
CYP1A2 P05177 3/20 0.35
CYP2C19 P33261 3/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CLK4 Q9HAZ1 2/20 0.35
TP53 P04637 2/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
CLK1 P49759 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
SCHEMBL3451694 0.79 MAPT (0.35) KMT2AL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL3452399 0.75 MAPT (0.39) KMT2AL3MBTL1MAPTNPC1KDM4E
Hydrochloric Acid SCHEMBL32664966 0.74 ALOX5 (0.40) KMT2AMAPTSMN1; SMN2NPC1MEN1
Hydrochloric Acid SCHEMBL3452698 0.73 KDM4E (0.40) KMT2AL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL3452405 0.73 KMT2A (0.40) KMT2AL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL3453051 0.73 MAPT (0.37) KMT2AL3MBTL1MAPTSMN1; SMN2NPC1
Hydrochloric Acid SCHEMBL3453449 0.71 KMT2A (0.37) KMT2AL3MBTL1MAPTSMN1; SMN2NPC1
SCHEMBL3451436 0.70 NPC1 (0.42) KMT2AMAPTSMN1; SMN2NPC1KDM4E
SCHEMBL3453202 0.69 CYP1A2 (0.71) KMT2AMEN1CYP1A2CYP2C19HSD17B10
SCHEMBL18471458 0.68 NPC1 (0.45) KMT2AL3MBTL1MAPTSMN1; SMN2NPC1

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 KMT2A 2090/4885L3MBTL1 4215/4885MAPT 3732/4885

“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.