SCHEMBL1496841

SCHEMBL1496841

CN(C)CCCN(Cc1ccc(C(=O)Nc2cscc2NC(=O)OC(C)(C)C)nc1)C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.39
NPC1 O15118 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.38
TRPV1 Q8NER1 2/20 0.38
PKM P14618 3/20 0.38
ROCK2 O75116 2/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
POLB P06746 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
LMNA P02545 1/20 0.36
KEAP1 Q14145 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
SCHEMBL1496832 0.96 GAA (0.43) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL1482175 0.96 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTTRPV1
SCHEMBL3221320 0.94 RAB9A (0.40) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL3226141 0.92 PDCD1 (0.41) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL3233969 0.91 PDCD1 (0.41) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL1497019 0.91 NPC1 (0.40) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL1497136 0.90 PIR (0.42) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL3232276 0.89 GAA (0.44) RAB9ANPC1SMN1; SMN2MAPTGAA
SCHEMBL8000742 0.89 USP2 (0.47) RAB9ASMN1; SMN2MAPTGAAROCK2
SCHEMBL1496923 0.89 TSHR (0.41) 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 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 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.