SCHEMBL1497136

SCHEMBL1497136

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCCC2)C(=O)Nc2ccc3c(c2)OCCO3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIR O00625 2/20 0.42
USP2 O75604 1/20 0.41
ROCK2 O75116 3/20 0.40
TSHR P16473 2/20 0.40
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
BRAF P15056 1/20 0.39
GSK3B P49841 1/20 0.39
HSF1 Q00613 1/20 0.39
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL1496847 0.96 PIR (0.40) PIRUSP2ROCK2ACHEBACE1
SCHEMBL8000742 0.95 USP2 (0.47) USP2ROCK2TSHRLMNAMAPT
SCHEMBL1496923 0.95 TSHR (0.41) PIRUSP2ROCK2TSHRLMNA
SCHEMBL1496838 0.93 USP2 (0.45) USP2ROCK2TSHRLMNAMAPT
SCHEMBL3232031 0.92 USP2 (0.41) PIRUSP2ROCK2TSHRACHE
SCHEMBL1497008 0.91 ALDH1A1 (0.39) USP2ROCK2TSHRLMNAMAPT
SCHEMBL1496959 0.91 ALDH1A1 (0.43) USP2ROCK2TSHRLMNAMAPT
SCHEMBL1496841 0.90 RAB9A (0.39) ROCK2LMNAMAPTKDM4EALDH1A1
SCHEMBL3232015 0.89 TSHR (0.43) USP2ROCK2TSHRLMNAMAPT
SCHEMBL3221268 0.89 USP2 (0.49) USP2ROCK2TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
US-20120202808-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-08-09 US disclosed
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
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US disclosed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US disclosed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP disclosed
WO-2009142321-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE 参天製薬株式会社 (JP) 2009-11-26 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 (2 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 PIR 1706/4885USP2 598/4885ROCK2 3193/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 PIR 2598/4885USP2 702/4885ROCK2 4568/4885

“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.