SCHEMBL1484237

SCHEMBL1484237

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.42
NPC1 O15118 10/20 0.42
SMN1; SMN2 Q16637 6/20 0.42
MAPT P10636 5/20 0.42
ROCK2 O75116 3/20 0.42
PKM P14618 4/20 0.41
ALDH1A1 P00352 4/20 0.39
LMNA P02545 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
KMT2A Q03164 1/20 0.39
RELA Q04206 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 2/20 0.38

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
SCHEMBL1497182 0.95 RAB9A (0.41) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL1496998 0.95 RAB9A (0.42) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL7998840 0.93 ROCK2 (0.39) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL1496982 0.92 ATM (0.47) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL1497123 0.91 GAA (0.46) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL2383085 0.90 HDAC1 (0.47) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL8002146 0.90 RAB9A (0.45) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL1497023 0.88 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL7999000 0.88 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2MAPTROCK2
SCHEMBL10476428 0.88 ROCK2 (0.38) RAB9ANPC1SMN1; SMN2MAPTROCK2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292611-B1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO LTD (JP) 2012-07-25 EP claimed
US-8198271-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-12 US claimed
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-31 US claimed
EP-2292611-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2011-03-09 EP claimed
US-8288380-B2 Thiophenediamine derivative having urea structure SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-10-16 US disclosed
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-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
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

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.