SCHEMBL1497009

SCHEMBL1497009

CN1CCN(CCCN(Cc2ccc(C(=O)Nc3cscc3N)nc2)C(=O)Nc2ccsc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
TSHR P16473 2/20 0.39
MAPT P10636 5/20 0.38
ROCK2 O75116 3/20 0.38
TP53 P04637 2/20 0.38
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
AVPR1A P37288 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C18 P33260 1/20 0.37
CYP2C19 P33261 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL1496929 0.95 ALDH1A1 (0.39) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL8004422 0.94 ROCK2 (0.41) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL8000862 0.92 USP2 (0.48) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL1496995 0.89 TSHR (0.44) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL8004473 0.89 ROCK2 (0.40) USP2TSHRMAPTROCK2TP53
SCHEMBL1482326 0.89 AVPR1A (0.41) USP2OPRM1OPRD1MAPTROCK2
SCHEMBL8004877 0.88 HDAC1 (0.42) USP2OPRM1OPRD1MAPTTP53
SCHEMBL1496966 0.87 TSHR (0.41) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL8004767 0.87 ALDH1A1 (0.49) USP2OPRM1OPRD1TSHRMAPT
SCHEMBL8007884 0.87 USP2 (0.40) USP2OPRM1OPRD1TSHRMAPT

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
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 USP2 598/4885OPRM1 78/4885OPRD1 390/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 USP2 702/4885OPRM1 13/4885OPRD1 152/4885

“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.