SCHEMBL1496831

SCHEMBL1496831

CN1CCN(CCN(Cc2ccc(C(=O)Nc3cscc3NC(=O)OC(C)(C)C)nc2)C(=O)NC2CCCC2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
USP2 O75604 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
SLC2A1 P11166 2/20 0.36
HTR2A P28223 1/20 0.36
TSHR P16473 1/20 0.35
MLNR O43193 1/20 0.35
CSF1R P07333 1/20 0.35
FLT3 P36888 1/20 0.35
GAA P10253 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL1497087 0.96 SLC2A1 (0.41) KDM4EUSP2ALDH1A1ALOX15KMT2A
SCHEMBL1496882 0.95 KDM4E (0.42) KDM4EUSP2ALDH1A1ALOX15KMT2A
SCHEMBL1497149 0.93 KDM4E (0.41) KDM4EUSP2ALDH1A1ALOX15KMT2A
SCHEMBL1497028 0.91 KDM4E (0.38) KDM4EUSP2ALDH1A1ALOX15KMT2A
SCHEMBL1496879 0.89 CSF1R (0.36) ALDH1A1KMT2AMEN1ABL1SRC
SCHEMBL1496845 0.89 KDM4E (0.45) KDM4EUSP2ALDH1A1KMT2AMEN1
SCHEMBL1497145 0.88 KDM4E (0.43) KDM4EUSP2ALDH1A1KMT2AMEN1
SCHEMBL1497078 0.88 ALDH1A1 (0.46) KDM4EUSP2ALDH1A1KMT2AMEN1
SCHEMBL1496850 0.88 GAA (0.41) KDM4EUSP2ALDH1A1ALOX15KMT2A
SCHEMBL8001252 0.87 CSF1R (0.38) KDM4EUSP2ALDH1A1KMT2AMEN1

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 9 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
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 2885/4885USP2 598/4885ALDH1A1 1240/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 KDM4E 2194/4885USP2 702/4885ALDH1A1 829/4885

“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.