SCHEMBL1496884

SCHEMBL1496884

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NC1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
ACVR1 Q04771 2/20 0.40
PDCD1 Q15116 3/20 0.37
CD274 Q9NZQ7 3/20 0.37
HTR5A P47898 3/20 0.37
APOBEC3A P31941 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
ROCK1 Q13464 2/20 0.35
KDM4E B2RXH2 2/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
ROCK2 O75116 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL1496970 0.96 GAA (0.39) GAAACVR1PDCD1CD274HTR5A
SCHEMBL1496938 0.95 GAA (0.50) GAAACVR1PDCD1CD274HTR5A
SCHEMBL4224190 0.89 HDAC1 (0.45) GAAACVR1PDCD1CD274HTR5A
SCHEMBL1497054 0.88 GAA (0.45) GAAACVR1APOBEC3ACTDSP1APOBEC3G
SCHEMBL4224312 0.88 GAA (0.45) GAAACVR1PDCD1CD274HTR5A
SCHEMBL1482918 0.87 KDM4E (0.43) GAAACVR1ROCK1KDM4ETSHR
SCHEMBL1497121 0.87 KDM4E (0.40) GAAACVR1PDCD1CD274APOBEC3A
SCHEMBL1497176 0.86 PDCD1 (0.39) PDCD1CD274ROCK1ROCK2HDAC3
SCHEMBL1496850 0.86 GAA (0.41) GAAACVR1PDCD1CD274HTR5A
SCHEMBL1497098 0.86 KDM4E (0.39) GAAACVR1APOBEC3ACTDSP1APOBEC3G

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 9 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
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 4745/4885ACVR1 366/4885PDCD1 4160/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 GAA 2968/4885ACVR1 3858/4885PDCD1 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.