SCHEMBL2393684

SCHEMBL2393684

N=C(N)Nc1nc(-c2cccc(N)c2)cs1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 6/20 0.59
HDAC1 Q13547 6/20 0.59
HDAC2 Q92769 6/20 0.59
HDAC10 Q969S8 6/20 0.59
HDAC6 Q9UBN7 4/20 0.59
HDAC8 Q9BY41 3/20 0.59
HDAC4 P56524 2/20 0.59
HDAC7 Q8WUI4 2/20 0.59
HDAC11 Q96DB2 2/20 0.59
HDAC9 Q9UKV0 2/20 0.59
HDAC5 Q9UQL6 2/20 0.59
TSHR P16473 1/20 0.55
RECQL P46063 1/20 0.55
NCOR2 Q9Y618 1/20 0.55
ROCK1 Q13464 2/20 0.51
ABL1 P00519 2/20 0.50
ROCK2 O75116 1/20 0.49
VCP P55072 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
Hydrochloric Acid SCHEMBL11254127 0.99 HDAC3 (0.60) HDAC3HDAC1HDAC2HDAC10HDAC6
Bromide SCHEMBL7141567 0.99 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC6
Bromide SCHEMBL11248133 0.97 HDAC3 (0.58) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3615155 0.86 ALOX5 (0.51) ABL1VCPNPC1RAB9AALDH1A1
SCHEMBL11090239 0.86 MAPT (0.51) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3602570 0.86 ABL1 (0.67) ROCK1ABL1ROCK2VCPNPC1
SCHEMBL11239265 0.86 MAPT (0.57) HDAC3HDAC1HDAC2HDAC10HDAC6
SCHEMBL3606891 0.85 ABL1 (0.68) ABL1ALDH1A1SMN1; SMN2GSTO1MAPT
SCHEMBL3604035 0.85 ATP4A (0.56) HDAC6ROCK1ABL1ROCK2VCP
SCHEMBL30660070 0.85 MEN1 (0.61) HDAC3HDAC1HDAC2HDAC10HDAC6

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies ASTRAZENECA AB (SE) 2010-11-25 US claimed
CN-101466692-A Thiazol-guanidine derivatives useful as a (beta) - related pathologies ASTRAZENECA AB (SE) 2009-06-24 CN claimed
EP-2010508-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES AstraZeneca AB (SE) 2009-01-07 EP claimed
WO-2007120096-A1 THIAZOL-GUANIDINE DERIVATIVES USEFUL AS A (BETA)- RELATED PATHOLOGIES ASTRAZENECA AB (SE) 2007-10-25 WO claimed
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2017-02-09 US disclosed
US-9475782-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors AbbVie Deutschland GmbH & Co. KG (DE) 2016-10-25 US disclosed
EP-1716127-B1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT LABORATORIES (US) 2013-12-05 US disclosed
US-8481576-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-07-09 US disclosed
US-8431604-B2 Guanidine compounds, and use thereof as binding partners for 5-HT5 receptors ABBOTT GMBH & CO. KG (DE) 2013-04-30 US disclosed
EP-2380885-A1 Guanidine compounds and use of same as binding partners for 5-HT5 receptors Abbott GmbH & Co. KG (DE) 2011-10-26 EP disclosed
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2011-09-29 US disclosed
US-4548944-A ANTIULCER, ANTISECRETORY AGENTS ISTITUTO DE ANGELI S.P.A. (IT) 1985-10-22 US disclosed
EP-0089730-A2 Guanidino heterocyclicphenylamidines, processes for their preparation and their pharmaceutical use ISTITUTO DE ANGELI S.p.A. (IT) 1983-09-28 EP disclosed
EP-0073971-A1 Thiadiazole oxides as gastric antisecretory agents MERCK & CO. INC. (US) 1983-03-16 EP disclosed
EP-0059903-A1 Diaminooxadiazoles, their use as gastric secretion inhibitors, and process for their preparation MERCK & CO. INC. (US) 1982-09-15 EP disclosed
US-4315009-A Antisecretory guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-09 US disclosed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed
EP-0040696-A2 Aminothiadiazoles as gastric secretion inhibitors MERCK & CO. INC. (US) 1981-12-02 EP disclosed
EP-0003640-A2 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 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 (4 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-20130324537-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 HDAC3 4792/4885HDAC1 4592/4885HDAC2 4666/4885
US-20170037016-A1 GUANIDINE COMPOUNDS AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, GRK5 HDAC3 4763/4885HDAC1 4515/4885HDAC2 4622/4885
US-20100298340-A1 Thiazol-Guanidine Derivatives Useful As A (Beta)-Related Pathologies GRN, MAPT, GUCY1B1 HDAC3 3023/4885HDAC1 1788/4885HDAC2 1703/4885
US-20110237589-A1 GUANIDINE COMPOUNDS, AND USE THEREOF AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, GRM5, TAAR5 HDAC3 4792/4885HDAC1 4592/4885HDAC2 4666/4885

“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.