SCHEMBL1496917

SCHEMBL1496917

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCN2CCCC2)C(=O)NCCc2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
NAMPT P43490 1/20 0.36
DRD2 P14416 1/20 0.35
ACHE P22303 1/20 0.35
BACE1 P56817 1/20 0.35
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
HIF1A Q16665 1/20 0.35
ACKR3 P25106 1/20 0.35
MCHR2 Q969V1 1/20 0.35
MCHR1 Q99705 1/20 0.35
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
KDM1A O60341 1/20 0.34
CKS1B P61024 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
SCHEMBL1497012 0.96 SIGMAR1 (0.42) SIGMAR1HDAC1HDAC6ROCK2SUCNR1
SCHEMBL1496919 0.95 SIGMAR1 (0.41) SIGMAR1SUCNR1NAMPTDRD2HIF1A
SCHEMBL8001525 0.94 POLB (0.42) SIGMAR1ROCK2ROCK1NAMPTLMNA
SCHEMBL1496941 0.91 SIGMAR1 (0.43) SIGMAR1SUCNR1NAMPTDRD2ACKR3
SCHEMBL3224387 0.90 SIGMAR1 (0.42) SIGMAR1HDAC1SUCNR1NAMPTDRD2
SCHEMBL1496985 0.90 USP2 (0.45) SIGMAR1ROCK2NAMPTPOLBTSHR
SCHEMBL1496867 0.89 USP2 (0.43) SIGMAR1ROCK2NAMPTACHEPOLB
SCHEMBL1496862 0.88 HTR5A (0.40) HDAC1ROCK2ROCK1NAMPTHIF1A
SCHEMBL8004861 0.87 USP2 (0.45) SIGMAR1ROCK2NAMPTPOLBTSHR
SCHEMBL1496892 0.87 CTSK (0.38) HDAC1HDAC6ROCK1NAMPTHIF1A

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 SIGMAR1 50/4885HDAC1 893/4885HDAC6 3122/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 SIGMAR1 11/4885HDAC1 986/4885HDAC6 1946/4885

“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.