SCHEMBL7998610

SCHEMBL7998610

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCCN2CCOCC2)C(=O)NCCc2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.45
CD274 Q9NZQ7 1/20 0.45
SIGMAR1 Q99720 3/20 0.42
POLB P06746 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TSHR P16473 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
USP2 O75604 1/20 0.41
KDM1A O60341 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3835937 0.94 NAMPT (0.48) NAMPTCD274SIGMAR1POLBHDAC1
SCHEMBL8001327 0.93 HSD17B10 (0.47) NAMPTCD274POLBHDAC1TSHR
SCHEMBL3836221 0.91 POLB (0.48) NAMPTCD274SIGMAR1POLBHDAC1
SCHEMBL1496985 0.91 USP2 (0.45) NAMPTCD274SIGMAR1POLBTSHR
SCHEMBL2499714 0.89 KDM1A (0.52) NAMPTCD274POLBHDAC1HDAC6
SCHEMBL1496867 0.89 USP2 (0.43) NAMPTCD274SIGMAR1POLBTSHR
SCHEMBL8004861 0.88 USP2 (0.45) NAMPTCD274SIGMAR1POLBTSHR
SCHEMBL2477790 0.87 HSD17B10 (0.49) NAMPTCD274POLBHDAC1TSHR
SCHEMBL1497022 0.87 NAMPT (0.49) NAMPTPOLBHDAC1HDAC6TSHR
SCHEMBL8001525 0.87 POLB (0.42) NAMPTCD274SIGMAR1POLBTSHR

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 NAMPT 2931/4885CD274 4096/4885SIGMAR1 50/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 NAMPT 3366/4885CD274 4718/4885SIGMAR1 11/4885

“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.