SCHEMBL1496850

SCHEMBL1496850

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)NC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
HTR5A P47898 3/20 0.36
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
APOBEC3A P31941 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
APOBEC3G Q9HC16 1/20 0.34
ACVR1 Q04771 1/20 0.34
KMT2A Q03164 3/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 2/20 0.33
MLNR O43193 1/20 0.33
S1PR1 P21453 1/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
KDM4E B2RXH2 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 2/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL1497163 0.97 GAA (0.36) GAAHTR5APDCD1CD274ROCK1
SCHEMBL1497154 0.95 GAA (0.47) GAAHTR5APDCD1CD274APOBEC3A
SCHEMBL3229485 0.93 GAA (0.41) GAAHTR5APDCD1CD274KMT2A
SCHEMBL3227878 0.92 GAA (0.42) GAAHTR5APDCD1CD274APOBEC3A
SCHEMBL4229640 0.89 PDCD1 (0.39) GAAHTR5APDCD1CD274KMT2A
SCHEMBL8000611 0.89 GAA (0.42) GAAHTR5AAPOBEC3ACTDSP1APOBEC3G
SCHEMBL1496882 0.89 KDM4E (0.42) GAAPDCD1CD274KMT2AROCK1
SCHEMBL1497028 0.88 KDM4E (0.38) GAAAPOBEC3ACTDSP1APOBEC3GACVR1
SCHEMBL1496831 0.88 KDM4E (0.38) GAAAPOBEC3ACTDSP1APOBEC3GACVR1
SCHEMBL1497457 0.87 PDCD1 (0.37) PDCD1CD274ROCK1

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
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP 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 GAA 4745/4885HTR5A 1196/4885PDCD1 4160/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 GAA 2968/4885HTR5A 190/4885PDCD1 4547/4885

“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.