Sugi Predict

Sugi Predict / Compounds / SCHEMBL1497067

SCHEMBL1497067

SCHEMBL1497067

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 2/20 0.41
▸ HDAC3 O15379 6/20 0.40
▸ HDAC1 Q13547 6/20 0.40
▸ HDAC2 Q92769 6/20 0.40
▸ NCOR2 Q9Y618 2/20 0.40
▸ CENPE Q02224 2/20 0.37
▸ NCOR1 O75376 1/20 0.37
▸ PDCD1 Q15116 4/20 0.37
▸ CD274 Q9NZQ7 4/20 0.37
▸ ROCK1 Q13464 2/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ P4HTM Q9NXG6 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
SCHEMBL7988715 0.92 ROCK1 (0.41) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL8004129 0.91 ROCK2 (0.40) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL8001402 0.91 ROCK1 (0.41) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7998723 0.91 ROCK2 (0.44) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL8002177 0.90 ROCK2 (0.50) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL1497055 0.90 HDAC1 (0.44) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL1496903 0.88 PDCD1 (0.38) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7998192 0.87 HTT (0.42) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL8004725 0.86 PDCD1 (0.37) ROCK2HDAC3HDAC1HDAC2NCOR2
SCHEMBL7998186 0.86 ROCK1 (0.38) HDAC3HDAC1HDAC2NCOR2PDCD1

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 7 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-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 3193/4885HDAC3 1037/4885HDAC1 893/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ROCK2 4568/4885HDAC3 2595/4885HDAC1 986/4885

“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.