SCHEMBL1496927

SCHEMBL1496927

CCN1CCCC1CN(Cc1ccc(C(=O)Nc2cscc2N)nc1)C(=O)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.37
NPC1 O15118 12/20 0.37
SMN1; SMN2 Q16637 9/20 0.37
ALDH1A1 P00352 5/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 5/20 0.37
PKM P14618 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 4/20 0.35
POLB P06746 3/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 3/20 0.34
ALOX12 P18054 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL1497006 0.89 MAPT (0.37) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1497015 0.87 ALDH1A1 (0.36) RAB9ASMN1; SMN2ALDH1A1HPGDHSD17B10
SCHEMBL1497093 0.84 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL7999000 0.82 ALDH1A1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL1484237 0.82 RAB9A (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11918275 0.82 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1HPGDHSD17B10MAPT
SCHEMBL1497023 0.81 ALDH1A1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL8004427 0.81 USP2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL2473833 0.81 HDAC1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL1497182 0.81 RAB9A (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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.