SCHEMBL1496937

SCHEMBL1496937

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 6/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 2/20 0.35
RXFP1 Q9HBX9 1/20 0.35
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.33
CHRM3 P20309 1/20 0.33
S1PR1 P21453 1/20 0.32
CSF1R P07333 1/20 0.32
FLT3 P36888 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL1496908 0.89 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL1497006 0.88 MAPT (0.37) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL13374699 0.88 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL1497015 0.88 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL1496946 0.86 KDM4E (0.41) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL1497109 0.82 ROCK2 (0.40) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL1497052 0.81 ROCK2 (0.42) ALDH1A1KMT2AMEN1GAAKDM4E
SCHEMBL8001252 0.81 CSF1R (0.38) ALDH1A1KMT2AMEN1GAAHPGD
SCHEMBL8001990 0.81 LMNA (0.39) KMT2ASMN1; SMN2KDM4ELMNACHRM3
SCHEMBL10476399 0.81 ALDH1A1 (0.32) ALDH1A1KMT2AMEN1GAAHPGD

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-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 1240/4885KMT2A 2284/4885MEN1 2127/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALDH1A1 829/4885KMT2A 2239/4885MEN1 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.