Sugi Predict

Sugi Predict / Compounds / SCHEMBL1496962

SCHEMBL1496962

SCHEMBL1496962

COc1ccccc1CNC(=O)N(CCN(C)C)Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 3/20 0.38
▸ HDAC1 Q13547 3/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ AHR P35869 1/20 0.36
▸ TSHR P16473 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35

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
SCHEMBL1496967 0.89 HTR5A (0.40) HDAC1MEN1KMT2AALDH1A1
SCHEMBL1496968 0.88 POLB (0.42) POLBMAPTHDAC1HDAC6ANO1
SCHEMBL1497000 0.88 CYP3A4 (0.39) POLBMAPTHDAC1HTTMEN1
SCHEMBL1496854 0.87 HTR5A (0.37) HDAC1MEN1KMT2ATSHRALDH1A1
SCHEMBL1497071 0.87 ROCK2 (0.39) HDAC1HDAC6
SCHEMBL1496904 0.86 ROCK2 (0.44) HTTCYP3A4CYP2C9ALDH1A1
SCHEMBL1496961 0.86 PDCD1 (0.36) HDAC1HDAC3HDAC2
SCHEMBL1497106 0.85 ROCK1 (0.38) HDAC1HDAC6
SCHEMBL1496972 0.85 NAMPT (0.42) MAPTHDAC1HTTMEN1KMT2A
SCHEMBL1496862 0.85 HTR5A (0.40) HDAC1MEN1KMT2AHDAC3HDAC2

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
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 POLB 2414/4885MAPT 4667/4885HDAC1 893/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 POLB 3976/4885MAPT 2920/4885HDAC1 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.