SCHEMBL1497023

SCHEMBL1497023

CN1CCN(CCN(Cc2ccc(C(=O)Nc3cscc3N)nc2)C(=O)Nc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
GAA P10253 4/20 0.41
LMNA P02545 2/20 0.41
THRB P10828 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 8/20 0.40
NPC1 O15118 7/20 0.40
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
TP53 P04637 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
POLB P06746 2/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL1496966 0.96 TSHR (0.41) ALDH1A1GAALMNATHRBRAB9A
SCHEMBL7999000 0.94 ALDH1A1 (0.42) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL1497032 0.93 ALDH1A1 (0.47) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL4217909 0.91 ALDH1A1 (0.43) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL8004427 0.90 USP2 (0.41) ALDH1A1LMNARAB9ANPC1PKM
SCHEMBL1496986 0.89 USP2 (0.47) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL1496911 0.89 USP2 (0.44) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL1497008 0.88 ALDH1A1 (0.39) ALDH1A1GAALMNATHRBMAPK1
SCHEMBL1484237 0.88 RAB9A (0.42) ALDH1A1LMNAMAPK1RAB9ANPC1
SCHEMBL1496929 0.87 ALDH1A1 (0.39) ALDH1A1GAALMNATHRBMAPK1

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
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 ALDH1A1 1240/4885GAA 4745/4885LMNA 2148/4885
US-20110077244-A1 NOVEL THIOPHENEDIAMINE DERIVATIVE HAVING UREA STRUCTURE HNMT, HRH4, CHRM1 ALDH1A1 829/4885GAA 2968/4885LMNA 4004/4885

“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.