SCHEMBL588406

SCHEMBL588406

O=[C]Nc1ncc(Cl)cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32
PTK2 Q05397 1/20 0.31
EDNRA P25101 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30

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
SCHEMBL968195 0.72
SCHEMBL8178618 0.71 L3MBTL1 (0.55) L3MBTL1PTK2
SCHEMBL1007992 0.70
SCHEMBL29036427 0.67 KDR (0.36)
SCHEMBL15360097 0.67
SCHEMBL13485374 0.67
SCHEMBL588407 0.67 MAPK1 (0.37) MAPK1L3MBTL1PTK2EDNRAHDAC3
Hydrochloric Acid SCHEMBL28846931 0.65 GRM5 (0.42) MAPK1L3MBTL1PTK2EDNRA
Hydrochloric Acid SCHEMBL28846918 0.65 GRM5 (0.42) MAPK1L3MBTL1PTK2EDNRA
SCHEMBL11470783 0.64 PTK2 (0.58) L3MBTL1PTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1975149-B1 1,3-BIS(SUBSTITUTED PHENYL)-3-HYDROXYPROPAN-1-ONE OR 2-PROPEN-1-ONE COMPOUND, AND SALT THEREOF NISSAN CHEMICAL IND LTD (JP) 2012-02-15 EP disclosed
US-7700808-B2 1-3-bis(substituted phenyl)-3-hydroxypropan-1-one or 2-propen-1-one compound, and salt thereof NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-20 US disclosed
US-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-01-22 US disclosed
EP-1975149-A1 1,3-BIS(SUBSTITUTED PHENYL)-3-HYDROXYPROPAN-1-ONE OR 2-PROPEN-1-ONE COMPOUND, AND SALT THEREOF Nissan Chemical Industries, Ltd. (JP) 2008-10-01 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 (1 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-20090023923-A1 1,3-Bis(Substituted Phenyl)-3-Hydroxypropan-1-One or 2-Propen-1-One Compound, and Salt Thereof HCN1, CNPY2, CLIC1 MAPK1 159/4885L3MBTL1 187/4885PTK2 3966/4885

“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.