SCHEMBL1497032

SCHEMBL1497032

Nc1cscc1NC(=O)c1ccc(CN(CCN2CCOCC2)C(=O)Nc2ccc3c(c2)OCCO3)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
LMNA P02545 4/20 0.47
GAA P10253 4/20 0.47
MAPK1 P28482 2/20 0.47
THRB P10828 1/20 0.47
TP53 P04637 3/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46
TSHR P16473 3/20 0.44
NPC1 O15118 3/20 0.42
USP2 O75604 2/20 0.42
KDM4E B2RXH2 4/20 0.41
MAPT P10636 4/20 0.41
TDP1 Q9NUW8 1/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL1496986 0.96 USP2 (0.47) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL1496911 0.95 USP2 (0.44) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL7999000 0.95 ALDH1A1 (0.42) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL1497023 0.93 ALDH1A1 (0.41) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL11918268 0.92 ALDH1A1 (0.47) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL8004427 0.91 USP2 (0.41) ALDH1A1LMNATP53POLBRAB9A
SCHEMBL1496966 0.89 TSHR (0.41) ALDH1A1LMNAGAATHRBTP53
SCHEMBL1496994 0.88 TSHR (0.45) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL8004767 0.88 ALDH1A1 (0.49) ALDH1A1LMNAGAAMAPK1THRB
SCHEMBL1496959 0.87 ALDH1A1 (0.43) ALDH1A1LMNAGAAMAPK1THRB

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

“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.