SCHEMBL5067809

SCHEMBL5067809

c1ccc(-c2cc(-c3cccs3)cc(-c3ccccn3)n2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
ALDH1A1 P00352 4/20 0.56
HPGD P15428 3/20 0.56
GAA P10253 3/20 0.56
GLA P06280 2/20 0.56
HCRTR1 O43613 1/20 0.56
MAPT P10636 4/20 0.55
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
TP53 P04637 3/20 0.54
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CCR1 P32246 3/20 0.51
CCR5 P51681 3/20 0.51
CCR8 P51685 3/20 0.51
LMNA P02545 3/20 0.50
ALOX15 P16050 2/20 0.50

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
SCHEMBL12655926 0.88 KDM4E (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL12655942 0.83 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL31282814 0.83 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL18078699 0.81 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL12655927 0.81 KDM4E (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL19219089 0.81 SMN1; SMN2 (0.54) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL30596386 0.80 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL29575458 0.80 KDM4E (0.65) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL36011 0.80 KDM4E (0.61) KDM4ESMN1; SMN2ALDH1A1HPGDGAA
SCHEMBL12655952 0.80 MAPT (0.46) KDM4ESMN1; SMN2ALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8383553-B2 Dyes MERCK PATENT GMBH (DE) 2013-02-26 US disclosed
US-8383553-B2 Dyes MERCK PATENT GMBH (DE) 2013-02-26 US disclosed
US-8064119-B2 Display element and driving method thereof KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-22 US disclosed
US-8064119-B2 Display element and driving method thereof KONICA MINOLTA HOLDINGS, INC. (JP) 2011-11-22 US disclosed
US-20110058244-A1 ELECTROCHROMIC DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-03-10 US disclosed
US-20110058244-A1 ELECTROCHROMIC DISPLAY ELEMENT KONICA MINOLTA HOLDINGS, INC. (JP) 2011-03-10 US disclosed
US-20100091352-A1 DISPLAY ELEMENT AND DRIVING METHOD THEREOF KONICA MINOLTA HOLDINGS, INC. (JP) 2010-04-15 US disclosed
US-20100091352-A1 DISPLAY ELEMENT AND DRIVING METHOD THEREOF KONICA MINOLTA HOLDINGS, INC. (JP) 2010-04-15 US disclosed
WO-2009055183-A2 NOVEL DYES KONARKA TECHNOLOGIES, INC. (US) 2009-04-30 WO disclosed
US-20090107552-A1 Novel Dyes MERCK KGAA (DE) 2009-04-30 US disclosed
US-20090107552-A1 Novel Dyes MERCK KGAA (DE) 2009-04-30 US disclosed
US-7465747-B2 Fluorescent label compounds Matsumoto, Kazuko (JP) 2008-12-16 US disclosed
US-7465747-B2 Fluorescent label compounds Matsumoto, Kazuko (JP) 2008-12-16 US disclosed
US-7465747-B2 Fluorescent label compounds Matsumoto, Kazuko (JP) 2008-12-16 US disclosed
US-20050255465-A1 Novel fluorescent label compounds KAZUKO MATSUMOTO (JP) 2005-11-17 US disclosed
EP-1489418-A1 NOVEL FLUORESCENT LABEL COMPOUNDS Matsumoto, Kazuko (JP) 2004-12-22 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-20050255465-A1 Novel fluorescent label compounds TRPC6, CHERP, FIBP KDM4E 4389/4885SMN1; SMN2 3231/4885ALDH1A1 543/4885
US-20090107552-A1 Novel Dyes CRY2, CRY1, HCCS KDM4E 2975/4885SMN1; SMN2 4851/4885ALDH1A1 1538/4885

“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.