SCHEMBL456985

SCHEMBL456985

NNC(=S)Nc1ccc(C(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.70
CA2 P00918 2/20 0.63
CA1 P00915 1/20 0.63
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
GAA P10253 1/20 0.59
IDO1 P14902 5/20 0.58
RAB9A P51151 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
PKM P14618 1/20 0.55
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 1/20 0.51
NSD2 O96028 1/20 0.50
ALPL P05186 1/20 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
SCHEMBL455344 0.83 IDO1 (0.78) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL12389676 0.83 MAPT (0.62) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL11517919 0.82 ALDH1A1 (1.00) ALDH1A1CA2CA1KMT2AMEN1
SCHEMBL2585606 0.81 ALDH1A1 (0.71) ALDH1A1CA2CA1KMT2AMEN1
SCHEMBL1105657 0.80 ALDH1A1 (0.60) ALDH1A1CA2CA1KMT2AMEN1
SCHEMBL4957765 0.80 MAPT (0.72) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL607731 0.80 EPHX2 (0.58) ALDH1A1CA2CA1KMT2AMEN1
SCHEMBL1110923 0.80 ALDH1A1 (0.63) ALDH1A1CA2CA1KMT2AMEN1
SCHEMBL5361111 0.79 CA1 (0.63) ALDH1A1CA2CA1KMT2AMEN1
SCHEMBL455167 0.77 ALDH1A1 (0.73) ALDH1A1KMT2AMEN1KDM4EMAPT

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 30 patents — showing the first 20. 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
EP-2240175-B1 COMPOUNDS WITH MDR1-INVERSE ACTIVITY US GOV HEALTH & HUMAN SERV (US) 2013-01-02 EP disclosed
US-8318796-B2 Heterocyclic compounds and thrombopoietin receptor activators NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2012-11-27 US disclosed
US-8299285-B2 Compounds for imaging and therapy ISIS INNOVATION LIMITED (GB) 2012-10-30 US disclosed
WO-2012033601-A1 THIOSEMICARBAZONES WITH MDR1 - INVERSE ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH & HUMAN SERVICES (US) 2012-03-15 WO disclosed
US-20110098353-A1 Compounds for Imaging and Therapy OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2011-04-28 US disclosed
US-20110077290-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2011-03-31 US disclosed
CN-1780822-A Use of derivatives of 2, 4-dihydro- 1,2,4 triazole-3-thione as inhibitors of the enzyme myeloperoxidase (MPO) ASTRAZENECA AB (SE) 2006-05-31 CN 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
EP-1620410-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO- 1,2,4 TRIAZOLE-3-THIONE AS INHIBITORS OF THE ENZYME MYELOPEROXIDASE (MPO) AstraZeneca AB (SE) 2006-02-01 EP disclosed
EP-1349613-A4 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORP (US) 2005-09-21 EP disclosed
WO-2004108683-A1 3-ALKYLIDENEHYDRAZINO SUBSTITUTED HETEROARYL COMPOUNDS AS THROMBOPOIETIN RECEPTOR ACTIVATORS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2004-12-16 WO disclosed
WO-2004096781-A1 USE OF DERIVATIVES OF 2, 4-DIHYDRO-[1,2,4]TRIAZOLE-3-THIONE AS INHIBITORS O FTEH ENZYME MYELOPEROXIDASE (MPO) ASTRAZENECA AB (SE) 2004-11-11 WO disclosed
US-20040058990-A1 Thrombopoietin mimetics SMITHKLINE BEECHAM CORPORATION 2004-03-25 US disclosed
EP-1349613-A2 THROMBOPOIETIN MIMETICS SmithKline Beecham Corporation (US) 2003-10-08 EP disclosed
WO-2002049413-A2 THROMBOPOIETIN MIMETICS SMITHKLINE BEECHAM CORPORATION (US) 2002-06-27 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 (6 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 3234/4885CA2 2812/4885CA1 2643/4885
US-20040058990-A1 Thrombopoietin mimetics MPL, THPO, TEK ALDH1A1 1889/4885CA2 4643/4885CA1 4305/4885
US-20060094694-A1 Heterocyclic compounds and thrombopoietin receptor activators NR2C2, ROR1, NR0B2 ALDH1A1 3160/4885CA2 2631/4885CA1 2516/4885
US-20110098353-A1 Compounds for Imaging and Therapy MEN1, XPOT, SLC39A3 ALDH1A1 996/4885CA2 1297/4885CA1 621/4885
US-20140051857-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885CA2 2812/4885CA1 2643/4885
US-20130012708-A1 HETEROCYCLIC COMPOUNDS AND THROMBOPOIETIN RECEPTOR ACTIVATORS NR2C2, ROR1, NR0B2 ALDH1A1 3234/4885CA2 2812/4885CA1 2643/4885

“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.