SCHEMBL1496908

SCHEMBL1496908

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)NC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 7/20 0.41
HSD17B10 Q99714 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 2/20 0.36
GAA P10253 2/20 0.36
POLB P06746 1/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 2/20 0.34
MAPT P10636 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
USP2 O75604 1/20 0.33
CHRM3 P20309 1/20 0.33
S1PR1 P21453 1/20 0.33
CKS1B P61024 1/20 0.33
SKP1 P63208 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
SCHEMBL1496937 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1497093 0.88 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL13374699 0.87 ALDH1A1 (0.35) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1496946 0.87 KDM4E (0.41) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1497006 0.85 MAPT (0.37) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1496882 0.84 KDM4E (0.42) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1496850 0.83 GAA (0.41) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL1497028 0.83 KDM4E (0.38) ALDH1A1KDM4EHSD17B10NPSR1MEN1
SCHEMBL1496831 0.83 KDM4E (0.38) ALDH1A1KDM4EHSD17B10MEN1KMT2A
SCHEMBL1497154 0.82 GAA (0.47) ALDH1A1KDM4EHSD17B10NPSR1MEN1

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 10 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-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
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 ALDH1A1 1240/4885KDM4E 2885/4885HSD17B10 2440/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALDH1A1 829/4885KDM4E 2194/4885HSD17B10 1852/4885

“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.