SCHEMBL1497450

SCHEMBL1497450

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CNCCCCN2CCOCC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.43
ALDH1A1 P00352 2/20 0.42
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
PDCD1 Q15116 3/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
ACKR3 P25106 1/20 0.39
HTT P42858 1/20 0.39
EPHX2 P34913 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
DRD2 P14416 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL1482729 0.97 ALDH1A1 (0.44) CD274ALDH1A1HIF1AEPAS1PDCD1
SCHEMBL1497451 0.94 CD274 (0.47) CD274ALDH1A1HIF1AEPAS1PDCD1
SCHEMBL3230045 0.93 CD274 (0.45) CD274ALDH1A1HIF1AEPAS1PDCD1
SCHEMBL3230240 0.92 CD274 (0.44) CD274ALDH1A1HIF1AEPAS1PDCD1
SCHEMBL12249896 0.90 HTT (0.46) CD274ALDH1A1HIF1AEPAS1PDCD1
SCHEMBL1496830 0.90 ACHE (0.45) CD274PDCD1ACKR3KMT2ADRD2
SCHEMBL1496840 0.89 ACKR3 (0.44) CD274PDCD1ACKR3DRD2
SCHEMBL1482637 0.86 CD274 (0.52) CD274ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL1496999 0.86 KMT2A (0.44) CD274PDCD1ACKR3KMT2A
SCHEMBL1496876 0.85 CSF1R (0.42) CD274PDCD1ACKR3KMT2ADRD2

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 CD274 4096/4885ALDH1A1 1240/4885HIF1A 1202/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 CD274 4718/4885ALDH1A1 829/4885HIF1A 2109/4885

“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.