SCHEMBL1466506

SCHEMBL1466506

[NH]C(=S)Nc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 1/20 0.54
EPHX1 P07099 2/20 0.50
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
TAAR1 Q96RJ0 2/20 0.47
CTSD P07339 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44
GAA P10253 1/20 0.43
ALDH1A1 P00352 1/20 0.43
BCHE P06276 1/20 0.42
CA9 Q16790 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL9297614 0.78 MDM2 (0.56) MDM2EPHX1KDM4EL3MBTL1TAAR1
SCHEMBL526209 0.76 ALDH1A1 (0.60) MDM2EPHX1KDM4EL3MBTL1TAAR1
SCHEMBL222140 0.76 MDM2 (0.54) MDM2EPHX1KDM4EL3MBTL1TAAR1
SCHEMBL232764 0.76 MDM2 (0.67) MDM2EPHX1KDM4EL3MBTL1TAAR1
SCHEMBL330186 0.75 ALDH1A1 (0.64) EPHX1KDM4EMEN1KMT2AGAA
SCHEMBL23293647 0.74 PHGDH (0.61) MDM2EPHX1KDM4EL3MBTL1TAAR1
Hydrochloric Acid SCHEMBL31091389 0.74 ALDH1A1 (0.58) MDM2EPHX1KDM4EL3MBTL1TAAR1
SCHEMBL1465824 0.74 ATG4B (0.56) KDM4EKMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16566469 0.73 ALDH1A1 (0.74) EPHX1TAAR1MEN1KMT2AGAA
SCHEMBL4399385 0.73 EPHX1 (0.52) MDM2EPHX1KDM4EL3MBTL1TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2440527-A1 PYRIDINYL DERIVATIVES AS INHIBITORS OF ENZYME NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE Topo Target A/S (DK) 2012-04-18 EP disclosed
US-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds BAYER CROPSCIENCE AG 2011-03-24 US disclosed
EP-2254863-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS Bayer CropScience AG (DE) 2010-12-01 EP disclosed
US-20090233960-A1 Kinase Inhibitors DEVGEN NV (BE) 2009-09-17 US disclosed
WO-2009112275-A1 PESTICIDAL CONDENSED - RING ARYL COMPOUNDS BAYER CROPSCIENCE AG (DE) 2009-09-17 WO disclosed
EP-1934181-A2 KINASE INHIBITORS Devgen NV (BE) 2008-06-25 EP disclosed
WO-2007042321-A2 KINASE INHIBITORS DEVGEN N.V. (BE) 2007-04-19 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 (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-20110071141-A1 Pesticidial Condensed-Ring Aryl Compounds DDT, PRDX4, CYP4X1 MDM2 1821/4885EPHX1 763/4885KDM4E 825/4885
US-20090233960-A1 Kinase Inhibitors ROCK1, MAP3K1, MAP3K11 MDM2 1439/4885EPHX1 3383/4885KDM4E 4294/4885

“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.