SCHEMBL1496864

SCHEMBL1496864

CN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 4/20 0.43
GAA P10253 2/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ROCK1 Q13464 2/20 0.37
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
MITF O75030 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNQ4 P56696 1/20 0.35
KCNQ5 Q9NR82 1/20 0.35
SOAT1 P35610 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
MET P08581 1/20 0.35
LMNA P02545 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL1496834 0.95 ROCK2 (0.46) ROCK2GAAMAPTXBP1SMN1; SMN2
SCHEMBL3225995 0.94 ROCK2 (0.44) ROCK2GAAMAPTXBP1SMN1; SMN2
SCHEMBL3230241 0.92 ROCK2 (0.43) ROCK2GAAMAPTXBP1SMN1; SMN2
SCHEMBL1496842 0.92 KMT2A (0.40) ROCK2MAPTSMN1; SMN2NPSR1ROCK1
SCHEMBL3262049 0.92 ROCK2 (0.42) ROCK2GAAMAPTXBP1SMN1; SMN2
SCHEMBL1496977 0.90 ROCK2 (0.40) ROCK2GAASMN1; SMN2ROCK1HDAC1
SCHEMBL3230597 0.89 ROCK2 (0.47) ROCK2GAAMAPTXBP1SMN1; SMN2
SCHEMBL11892993 0.88 ROCK2 (0.39) ROCK2ROCK1HDAC1HDAC6MITF
SCHEMBL3219418 0.88 HDAC1 (0.42) ROCK2ROCK1HDAC1HDAC6KCNQ4
SCHEMBL1496858 0.88 MEN1 (0.41) ROCK2MAPTSMN1; SMN2ROCK1HDAC1

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 10 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
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 ROCK2 3193/4885GAA 4745/4885MAPT 4667/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885GAA 2968/4885MAPT 2920/4885

“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.