SCHEMBL8004767

SCHEMBL8004767

Nc1cscc1NC(=O)c1ccc(CN(CCN2CCOCC2)C(=O)Nc2ccsc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
GAA P10253 4/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49
MAPK1 P28482 1/20 0.49
TSHR P16473 3/20 0.48
POLB P06746 1/20 0.48
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
USP2 O75604 1/20 0.42
ROCK2 O75116 1/20 0.42
ROCK1 Q13464 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42

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
SCHEMBL8000862 0.95 USP2 (0.48) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL8004473 0.93 ROCK2 (0.40) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL1496929 0.92 ALDH1A1 (0.39) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL8004422 0.88 ROCK2 (0.41) ALDH1A1GAALMNATHRBTSHR
SCHEMBL1497032 0.88 ALDH1A1 (0.47) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL4233246 0.88 TSHR (0.50) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL1497009 0.87 USP2 (0.41) ALDH1A1GAALMNATHRBTSHR
SCHEMBL4222624 0.87 TSHR (0.47) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL8001441 0.86 ALDH1A1 (0.45) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL1496881 0.86 KDM4E (0.44) ALDH1A1GAALMNATHRBMAPK1

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 5 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
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 ALDH1A1 1240/4885GAA 4745/4885LMNA 2148/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALDH1A1 829/4885GAA 2968/4885LMNA 4004/4885

“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.