SCHEMBL2554731

SCHEMBL2554731

O=C(O)c1csc(-c2ccc(Br)cc2)n1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
ALDH1A1 P00352 2/20 0.71
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HPGDS O60760 1/20 0.55
KDM4E B2RXH2 2/20 0.53
PTPN1 P18031 2/20 0.51
PLA2G10 O15496 1/20 0.51
RAB9A P51151 2/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL999473 0.85 HDAC1 (0.69) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL26319518 0.84 ALDH1A1 (0.73) HDAC1HDAC8HDAC6ALDH1A1HPGDS
SCHEMBL2104811 0.84 ALDH1A1 (0.73) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL1785557 0.84 ALDH1A1 (0.73) HDAC1HDAC8HDAC6ALDH1A1HPGDS
SCHEMBL352152 0.84 HPGDS (0.73) HDAC1HDAC8HDAC6ALDH1A1HPGDS
SCHEMBL24136179 0.83 ALDH1A1 (0.71) HDAC1HDAC8HDAC6ALDH1A1HPGDS
SCHEMBL10037306 0.83 ALDH1A1 (0.71) HDAC1HDAC8HDAC6ALDH1A1HPGDS
SCHEMBL3412110 0.83 ALDH1A1 (0.71) HDAC1HDAC8HDAC6ALDH1A1MEN1
SCHEMBL3098211 0.83 ALDH1A1 (1.00) HDAC1HDAC8HDAC6ALDH1A1HPGDS
SCHEMBL15754791 0.83 ALDH1A1 (0.71) HDAC1HDAC8HDAC6ALDH1A1HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200125564-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2020-04-23 US disclosed
WO-2020030924-A1 THIAZOLEUREAS AS ANTICANCER AGENTS ARTIOS PHARMA LIMITED (GB) 2020-02-13 WO disclosed
WO-2020030924-A1 THIAZOLEUREAS AS ANTICANCER AGENTS ARTIOS PHARMA LIMITED (GB) 2020-02-13 WO disclosed
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2020-01-28 US disclosed
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-09-04 US disclosed
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2018-07-12 US disclosed
US-9926325-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders OGEDA SA (BE) 2018-03-27 US disclosed
EP-3176171-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-06-07 EP disclosed
EP-2552920-B1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2017-03-15 EP disclosed
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2015-11-05 US disclosed
US-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS OGEDA SA (BE) 2014-12-18 US disclosed
US-8871761-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders EUROSCREEN S.A. (BE) 2014-10-28 US disclosed
EP-2552920-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS Euroscreen S.A. (BE) 2013-02-06 EP disclosed
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2013-01-24 US disclosed
WO-2011121137-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS EUROSCREEN S.A. (BE) 2011-10-06 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-20140371218-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HDAC1 3451/4885HDAC8 2622/4885HDAC6 2323/4885
US-10065960-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 HDAC1 3779/4885HDAC8 2993/4885HDAC6 2707/4885
US-20180194772-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HDAC1 3451/4885HDAC8 2622/4885HDAC6 2323/4885
US-20150315199-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HDAC1 3451/4885HDAC8 2622/4885HDAC6 2323/4885
US-20130023530-A1 NOVEL NK-3 RECEPTOR SELECTIVE ANTAGONIST COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN NK-3 RECEPTORS MEDIATED DISORDERS ACKR3, BDKRB2, GPR3 HDAC1 3451/4885HDAC8 2622/4885HDAC6 2323/4885
US-10544150-B2 NK-3 receptor selective antagonist compounds, pharmaceutical composition and methods for use in NK-3 receptors mediated disorders BDKRB2, ACKR3, KLRK1 HDAC1 3779/4885HDAC8 2993/4885HDAC6 2707/4885

“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.