SCHEMBL1496830

SCHEMBL1496830

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CNCCCN2CCCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.45
BACE1 P56817 1/20 0.45
PDCD1 Q15116 10/20 0.43
CD274 Q9NZQ7 10/20 0.43
ACKR3 P25106 2/20 0.42
HDAC1 Q13547 2/20 0.42
NAMPT P43490 1/20 0.41
KMT2A Q03164 1/20 0.39
DRD2 P14416 1/20 0.38

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
SCHEMBL1496999 0.95 KMT2A (0.44) ACHEBACE1PDCD1CD274ACKR3
SCHEMBL1496840 0.94 ACKR3 (0.44) ACHEBACE1PDCD1CD274ACKR3
SCHEMBL1482729 0.92 ALDH1A1 (0.44) PDCD1CD274ACKR3KMT2A
SCHEMBL3229584 0.92 PDCD1 (0.47) ACHEBACE1PDCD1CD274ACKR3
SCHEMBL1497450 0.90 CD274 (0.43) PDCD1CD274ACKR3KMT2ADRD2
SCHEMBL3224383 0.90 PDCD1 (0.46) ACHEBACE1PDCD1CD274HDAC1
SCHEMBL1496876 0.89 CSF1R (0.42) PDCD1CD274ACKR3HDAC1NAMPT
SCHEMBL1497451 0.87 CD274 (0.47) PDCD1CD274HDAC1NAMPTKMT2A
SCHEMBL3218971 0.86 PDCD1 (0.46) PDCD1CD274ACKR3HDAC1KMT2A
SCHEMBL12249896 0.84 HTT (0.46) PDCD1CD274HDAC1KMT2A

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 8 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
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 ACHE 1166/4885BACE1 3817/4885PDCD1 4160/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ACHE 979/4885BACE1 3171/4885PDCD1 4547/4885

“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.