SCHEMBL1483115

SCHEMBL1483115

CC(=NNC(=S)Nc1ccc(C(=O)O)cc1)c1nn(C)c(-c2ccc(CC(C)C)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
MAPT P10636 7/20 0.35
GAA P10253 3/20 0.35
HPGD P15428 2/20 0.35
RORC P51449 1/20 0.35
PTGS2 P35354 2/20 0.34
CA2 P00918 1/20 0.34
RAB9A P51151 3/20 0.34
KMT2A Q03164 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MEN1 O00255 3/20 0.34
CRHBP P24387 2/20 0.34
CRHR2 Q13324 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
PDE6D O43924 1/20 0.33

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
SCHEMBL12755614 1.00 ALDH1A1 (0.35) ALDH1A1MAPTGAAHPGDRORC
SCHEMBL1483114 1.00 ALDH1A1 (0.35) ALDH1A1MAPTGAAHPGDRORC
SCHEMBL12755618 0.90 ALDH1A1 (0.43) ALDH1A1MAPTGAAHPGDPTGS2
SCHEMBL1484367 0.90 ALDH1A1 (0.43) ALDH1A1MAPTGAAHPGDPTGS2
SCHEMBL1484366 0.90 ALDH1A1 (0.43) ALDH1A1MAPTGAAHPGDPTGS2
SCHEMBL14223988 0.89 ALDH1A1 (0.39) ALDH1A1MAPTGAAHPGDRAB9A
SCHEMBL1483437 0.89 MAPK1 (0.36) ALDH1A1MAPTGAAHPGDPTGS2
SCHEMBL12755619 0.89 MAPK1 (0.36) ALDH1A1MAPTGAAHPGDPTGS2
SCHEMBL1483438 0.89 MAPK1 (0.36) ALDH1A1MAPTGAAHPGDPTGS2
SCHEMBL1483298 0.89 ALDH1A1 (0.45) ALDH1A1MAPTGAAHPGDPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636192-B9 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2015-07-01 EP disclosed
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2014-02-20 US disclosed
EP-1636192-B1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL IND LTD (JP) 2014-01-15 EP disclosed
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2013-01-10 US disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
US-7576115-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2009-08-18 US disclosed
US-7351841-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2008-04-01 US disclosed
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2008-01-31 US disclosed
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2006-05-04 US disclosed
EP-1636192-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS Nissan Chemical Industries, Ltd. (JP) 2006-03-22 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 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 (5 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-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885MAPT 3117/4885GAA 4804/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 ALDH1A1 3160/4885MAPT 3249/4885GAA 4787/4885
US-20080027068-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3206/4885MAPT 2880/4885GAA 4802/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885MAPT 3117/4885GAA 4804/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885MAPT 3117/4885GAA 4804/4885

“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.