SCHEMBL1497057

SCHEMBL1497057

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(C(CCCN2CCCC2)NC(=O)Nc2ccsc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
HRH3 Q9Y5N1 3/20 0.34
JAK2 O60674 1/20 0.34
NAMPT P43490 1/20 0.32
MAPK1 P28482 1/20 0.32
MC4R P32245 1/20 0.32
KDR P35968 1/20 0.32
MAPT P10636 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32
UTS2R Q9UKP6 1/20 0.31
ELANE P08246 1/20 0.31

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
SCHEMBL1496991 0.95 CSF1R (0.35) ACHEBACE1KDRHRH2HRH1
SCHEMBL1497117 0.95 UTS2R (0.35) ACHEBACE1JAK2NAMPTMAPK1
SCHEMBL1496958 0.94 CD274 (0.39) HRH3JAK2
SCHEMBL1497013 0.91 CSF1R (0.36) MAPK1HRH2HRH1ELANE
SCHEMBL3230179 0.89 JAK2 (0.38) JAK2MAPT
SCHEMBL1496855 0.89 CD274 (0.40) JAK2
SCHEMBL3230156 0.87 JAK2 (0.38) JAK2MAPT
SCHEMBL1497031 0.87 AKT1 (0.35) HRH3MAPK1MC4RUTS2R
SCHEMBL1496836 0.86 UTS2R (0.39) UTS2RELANE
SCHEMBL10476436 0.84 UTS2R (0.44) UTS2R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 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-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE CBR1, NAT1, PRMT1 ACHE 1166/4885BACE1 3817/4885HRH3 12/4885

“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.