SCHEMBL1496902

SCHEMBL1496902

CCC(C)NC(=O)N(CCCN1CCN(C)CC1)Cc1ccc(C(=O)Nc2cscc2N)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 4/20 0.39
USP2 O75604 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
SLC2A1 P11166 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 1/20 0.35
POLB P06746 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
PDCD1 Q15116 2/20 0.34
CD274 Q9NZQ7 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC2 Q92769 1/20 0.34
MAPT P10636 3/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL1482326 0.93 AVPR1A (0.41) AVPR1AUSP2OPRM1OPRD1SLC2A1
SCHEMBL1497064 0.92 USP2 (0.45) USP2OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL1496934 0.90 USP2 (0.43) USP2OPRM1OPRD1POLBSMN1; SMN2
SCHEMBL1496943 0.88 KCNH2 (0.38) AVPR1ACYP1A2CYP2C18CYP2C19KCNH2
SCHEMBL8004877 0.88 HDAC1 (0.42) AVPR1AUSP2OPRM1OPRD1CYP1A2
SCHEMBL1496870 0.88 AVPR1A (0.37) AVPR1AUSP2OPRM1OPRD1SLC2A1
SCHEMBL1497009 0.87 USP2 (0.41) AVPR1AUSP2OPRM1OPRD1CYP1A2
SCHEMBL1497036 0.85 USP2 (0.45) USP2OPRM1OPRD1SMN1; SMN2MAPT
SCHEMBL1496886 0.85 AVPR1A (0.42) AVPR1AUSP2SLC2A1SMN1; SMN2PDCD1
SCHEMBL1496952 0.85 SLC2A1 (0.42) AVPR1AUSP2SLC2A1CYP1A2CYP2C18

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 6 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
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 AVPR1A 1700/4885USP2 598/4885OPRM1 78/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 AVPR1A 548/4885USP2 702/4885OPRM1 13/4885

“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.