SCHEMBL2464221

SCHEMBL2464221

Cn1c(Br)c(Br)cc(OCc2ccccc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.48
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PTPN1 P18031 1/20 0.43
MAOB P27338 2/20 0.43
PKM P14618 2/20 0.43
MAOA P21397 1/20 0.43
GRM2 Q14416 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CCR5 P51681 1/20 0.42
SRD5A1 P18405 1/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL2466155 0.83 MAPK14 (0.44) MAPK14MEN1KMT2APTPN1MAOB
SCHEMBL2469710 0.80 MAPK14 (0.41) MAPK14PTPN1MAOBPKMMAOA
SCHEMBL2463311 0.77 MAPK14 (0.48) MAPK14MAOBMAPTMAPK1TDP1
SCHEMBL27281431 0.75 FFAR4 (0.48) MAPK14MEN1KMT2AMAPTMAPK1
SCHEMBL29025569 0.73 KMT2A (0.61) MEN1KMT2AMAPTTDP1L3MBTL1
SCHEMBL16791957 0.73 PTPN1 (0.46) MAPK14PTPN1PKMMAPTMAPK1
SCHEMBL16432066 0.73 MAOB (0.50) MAPK14PTPN1MAOBPKMMAOA
SCHEMBL2462795 0.73 MAPK14 (0.50) MAPK14MAOBPKMMAOAGRM2
SCHEMBL2736541 0.72 CNR1 (0.47) MAPK14MEN1KMT2AMAOBMAOA
SCHEMBL24556370 0.72 MAPK14 (0.49) MAPK14PKMMAPTMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9309199-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2016-04-12 US disclosed
US-9309199-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2016-04-12 US disclosed
US-9309199-B2 Inhibitors of catechol O-methyl transferase and their use in the treatment of psychotic disorders MERCK SHARP & DOHME CORP. (US) 2016-04-12 US disclosed
EP-2542077-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS Merck Sharp & Dohme Corp. (US) 2013-01-09 EP disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
US-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME LLC 2013-01-03 US disclosed
WO-2011109261-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 WO disclosed
WO-2011109261-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME CORP. (US) 2011-09-09 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 (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-20130005744-A1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS COMT, PNMT, TPMT MAPK14 2842/4885MEN1 4425/4885KMT2A 317/4885

“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.