SCHEMBL1496975

SCHEMBL1496975

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)NCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
USP2 O75604 1/20 0.40
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
RAB9A P51151 3/20 0.36
HIF1A Q16665 2/20 0.36
GAA P10253 3/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HDAC1 Q13547 2/20 0.35

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
SCHEMBL1496946 0.88 KDM4E (0.41) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1497093 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1497015 0.85 ALDH1A1 (0.36) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL11918275 0.83 ALDH1A1 (0.34) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL1497010 0.81 HIF1A (0.39) LMNAHIF1APOLBHRH3HDAC1
SCHEMBL1496927 0.81 RAB9A (0.37) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL7999005 0.80 HDAC3 (0.39) ALDH1A1KDM4ELMNAHIF1AGAA
SCHEMBL1497140 0.80 HDAC1 (0.41) USP2LMNAHIF1AHDAC1MCHR1
SCHEMBL1483172 0.80 HIF1A (0.42) MEN1KMT2AHIF1AHDAC1HDAC2
SCHEMBL1496978 0.79 RAB9A (0.39) ALDH1A1KDM4EHPGDHSD17B10KMT2A

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 ALDH1A1 1240/4885KDM4E 2885/4885HPGD 2370/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALDH1A1 829/4885KDM4E 2194/4885HPGD 1525/4885

“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.