SCHEMBL1496847

SCHEMBL1496847

CC(C)(C)OC(=O)Nc1cscc1NC(=O)c1ccc(CN(CCN2CCCC2)C(=O)Nc2ccc3c(c2)OCCO3)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIR O00625 2/20 0.40
BRAF P15056 1/20 0.39
GSK3B P49841 1/20 0.39
HSF1 Q00613 1/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.39
ROCK2 O75116 3/20 0.39
ROCK1 Q13464 3/20 0.39
RAB9A P51151 5/20 0.38
NPC1 O15118 4/20 0.38
PKM P14618 3/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 4/20 0.38
LMNA P02545 2/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 4/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 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
SCHEMBL1497136 0.96 PIR (0.42) PIRBRAFGSK3BHSF1ALDH1A1
SCHEMBL1496959 0.95 ALDH1A1 (0.43) ALDH1A1KDM4EROCK2ROCK1RAB9A
SCHEMBL1497008 0.95 ALDH1A1 (0.39) ALDH1A1KDM4EROCK2ROCK1RAB9A
SCHEMBL1496923 0.91 TSHR (0.41) PIRALDH1A1KDM4EROCK2RAB9A
SCHEMBL8000742 0.91 USP2 (0.47) ALDH1A1KDM4EROCK2RAB9AGAA
SCHEMBL1496949 0.91 TP53 (0.42) ALDH1A1KDM4ERAB9ANPC1EPHX2
SCHEMBL1496838 0.91 USP2 (0.45) ALDH1A1KDM4EROCK2RAB9AEPHX2
SCHEMBL1482175 0.89 RAB9A (0.40) ALDH1A1KDM4EROCK2RAB9ANPC1
SCHEMBL3232031 0.89 USP2 (0.41) PIRBRAFGSK3BHSF1ALDH1A1
SCHEMBL3226024 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EROCK2ROCK1RAB9A

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 PIR 1706/4885BRAF 801/4885GSK3B 4321/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 PIR 2598/4885BRAF 2629/4885GSK3B 4831/4885

“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.