SCHEMBL1497182

SCHEMBL1497182

CN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.41
NPC1 O15118 10/20 0.41
SMN1; SMN2 Q16637 6/20 0.41
MAPT P10636 5/20 0.41
GAA P10253 1/20 0.41
PKM P14618 4/20 0.40
ROCK2 O75116 2/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
POLB P06746 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
MEN1 O00255 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
KMT2A Q03164 1/20 0.38
RELA Q04206 1/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL1497123 0.95 GAA (0.46) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL1484237 0.95 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL1496998 0.91 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL2385694 0.90 HDAC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL7998840 0.89 ROCK2 (0.39) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL4232480 0.88 HDAC1 (0.46) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL1496966 0.88 TSHR (0.41) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL8004427 0.88 USP2 (0.41) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL4222622 0.88 HDAC1 (0.45) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL1496841 0.88 RAB9A (0.39) RAB9ANPC1SMN1; SMN2MAPTGAA

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
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 RAB9A 2610/4885NPC1 2376/4885SMN1; SMN2 3619/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 RAB9A 2648/4885NPC1 843/4885SMN1; SMN2 4460/4885

“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.