SCHEMBL7997914

SCHEMBL7997914

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)NCCc1ccc2c(c1)OCO2

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
IDO1 P14902 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
MAPK1 P28482 1/20 0.35
RAF1 P04049 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL9915261 0.89 ALK (0.37) FAAHNPC1RAB9AIDO1TAAR1
SCHEMBL1497019 0.89 NPC1 (0.40) GAANPC1RAB9ATAAR1ALDH1A1
SCHEMBL12831883 0.88 RAF1 (0.37) HPGDRAF1ALDH1A1
SCHEMBL1496926 0.88 IDO1 (0.41) FAAHGAANPC1RAB9AIDO1
SCHEMBL1497445 0.88 KDM4E (0.40) GAANPC1RAB9AIDO1HPGD
SCHEMBL1496893 0.87 POLB (0.37) RAF1SMN1; SMN2
SCHEMBL1496862 0.87 HTR5A (0.40) RAF1
SCHEMBL1496945 0.86 HIF1A (0.41) GAANPC1RAB9AIDO1RAF1
SCHEMBL1496860 0.86 ROCK2 (0.38) RAF1
SCHEMBL1496843 0.85 KMT2A (0.40) RAF1SMN1; SMN2

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 5 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-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
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 FAAH 1879/4885GAA 4745/4885NPC1 2376/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 FAAH 2071/4885GAA 2968/4885NPC1 843/4885

“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.