SCHEMBL1496946

SCHEMBL1496946

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)NCCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.40
POLB P06746 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX12 P18054 1/20 0.36
MAPK1 P28482 1/20 0.36
CHRM3 P20309 1/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
MCHR2 Q969V1 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
SCHEMBL1496975 0.88 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1496908 0.87 ALDH1A1 (0.41) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1496937 0.86 ALDH1A1 (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL13374699 0.84 ALDH1A1 (0.35) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1496917 0.83 SIGMAR1 (0.40) POLBLMNAMCHR2MCHR1NAMPT
SCHEMBL1497012 0.82 SIGMAR1 (0.42) USP2NAMPT
SCHEMBL1497006 0.82 MAPT (0.37) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1496862 0.81 HTR5A (0.40) MEN1KMT2ANAMPTHTR5A
SCHEMBL1496919 0.81 SIGMAR1 (0.41) KDM4EALDH1A1POLBNAMPT
SCHEMBL10476400 0.81 KDM4E (0.37) KDM4EALDH1A1KMT2AHSD17B10HPGD

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 KDM4E 2885/4885ALDH1A1 1240/4885MEN1 2127/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 KDM4E 2194/4885ALDH1A1 829/4885MEN1 1744/4885

“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.