SCHEMBL8002146

SCHEMBL8002146

CN(C)CCN(Cc1ccc(C(=O)Nc2cscc2N)cc1)C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 13/20 0.45
NPC1 O15118 11/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HDAC1 Q13547 2/20 0.44
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
POLB P06746 1/20 0.43
PKM P14618 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HDAC2 Q92769 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL1484237 0.90 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL2474298 0.88 HDAC1 (0.58) RAB9ANPC1SMN1; SMN2NPSR1HDAC1
SCHEMBL1496883 0.86 TRPV1 (0.42) RAB9ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL1497021 0.85 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1497182 0.85 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL1496998 0.85 RAB9A (0.42) RAB9ANPC1SMN1; SMN2HDAC1ALDH1A1
SCHEMBL7998840 0.84 ROCK2 (0.39) RAB9ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL1482523 0.84 RAB9A (0.44) RAB9ANPC1SMN1; SMN2HDAC1ALDH1A1
SCHEMBL10476428 0.84 ROCK2 (0.38) RAB9ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL2476825 0.83 HDAC1 (0.56) RAB9ANPC1SMN1; SMN2HDAC1ALDH1A1

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 6 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
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.