SCHEMBL7999005

SCHEMBL7999005

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.39
HDAC2 Q92769 3/20 0.39
HIF1A Q16665 2/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
USP25 Q9UHP3 2/20 0.36
USP28 Q96RU2 1/20 0.36
NAMPT P43490 1/20 0.36
ALDH1A1 P00352 2/20 0.36
AVPR1A P37288 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HDAC1 Q13547 5/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C18 P33260 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL7998217 0.95 AVPR1A (0.41) HDAC3HDAC2HIF1ANAMPTAVPR1A
SCHEMBL1497010 0.94 HIF1A (0.39) HDAC3HDAC2HIF1APOLBTSHR
SCHEMBL7999342 0.92 POLB (0.46) HIF1APOLBTSHRNAMPTALDH1A1
SCHEMBL4223063 0.91 HDAC1 (0.43) HDAC3HDAC2HIF1APOLBTSHR
SCHEMBL8000939 0.91 KCNH2 (0.36) HDAC3HDAC2HIF1AUSP25USP28
SCHEMBL1497140 0.89 HDAC1 (0.41) HIF1AUSP28NAMPTHDAC1LMNA
SCHEMBL9915276 0.88 IDO1 (0.40) HDAC2HDAC1
SCHEMBL1496886 0.88 AVPR1A (0.42) HDAC3HDAC2TSHRAVPR1A
SCHEMBL1496919 0.88 SIGMAR1 (0.41) HIF1APOLBTSHRNAMPTALDH1A1
SCHEMBL1497201 0.87 NAMPT (0.45) POLBTSHRNAMPTALDH1A1KDM4E

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 7 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
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 HDAC3 1037/4885HDAC2 2017/4885HIF1A 1202/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 HDAC3 2595/4885HDAC2 1000/4885HIF1A 2109/4885

“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.