SCHEMBL7998217

SCHEMBL7998217

CN1CCN(CCCN(Cc2ccc(C(=O)Nc3cscc3N)nc2)C(=O)NCCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 5/20 0.41
HDAC3 O15379 2/20 0.38
HDAC2 Q92769 2/20 0.38
NAMPT P43490 3/20 0.37
HIF1A Q16665 2/20 0.37
USP2 O75604 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
TLR7 Q9NYK1 1/20 0.36

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
SCHEMBL7999005 0.95 HDAC3 (0.39) AVPR1AHDAC3HDAC2NAMPTHIF1A
SCHEMBL1497140 0.94 HDAC1 (0.41) NAMPTHIF1AUSP2HDAC1HDAC6
SCHEMBL1496886 0.92 AVPR1A (0.42) AVPR1AHDAC3HDAC2USP2
SCHEMBL1497201 0.92 NAMPT (0.45) NAMPTUSP2
SCHEMBL4229601 0.92 HDAC1 (0.44) AVPR1AHDAC3HDAC2HIF1AHDAC1
SCHEMBL8004877 0.91 HDAC1 (0.42) AVPR1AHDAC3HDAC2USP2HDAC1
SCHEMBL1482239 0.90 NAMPT (0.43) NAMPTUSP2
SCHEMBL1497010 0.89 HIF1A (0.39) HDAC3HDAC2NAMPTHIF1AHDAC1
SCHEMBL8002846 0.89 NAMPT (0.45) NAMPTHIF1AUSP2
SCHEMBL1496941 0.88 SIGMAR1 (0.43) AVPR1ANAMPTUSP2SIGMAR1DRD2

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 1700/4885HDAC3 1037/4885HDAC2 2017/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 AVPR1A 548/4885HDAC3 2595/4885HDAC2 1000/4885

“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.