SCHEMBL4728144

SCHEMBL4728144

O=[N+]1Cc2ccccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.42
MAOB P27338 2/20 0.42
ABCG2 Q9UNQ0 1/20 0.36
ITGB2 P05107 1/20 0.36
ICAM1 P05362 1/20 0.36
ITGAL P20701 1/20 0.36
OXTR P30559 1/20 0.35
CYP1A2 P05177 1/20 0.35
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.32
PKM P14618 1/20 0.32
LMNA P02545 3/20 0.32
CRHBP P24387 2/20 0.32
CRHR2 Q13324 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3553901 0.76 MAOB (0.39) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL28498140 0.76 MAOA (0.35) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL1553785 0.73 MAOB (0.42) MAOAMAOBTSHRPKMKDM4E
SCHEMBL11897891 0.73 OXTR (0.39) MAOAMAOBABCG2ITGB2ICAM1
SCHEMBL10408023 0.71 MAOA (0.35) MAOAMAOBCYP1A2TSHR
SCHEMBL5079833 0.70 MAOA (0.34) MAOAMAOB
Hydrochloric Acid SCHEMBL8209470 0.69 MAOA (0.33) MAOAMAOB
Hydrochloric Acid SCHEMBL8205757 0.69 MAOA (0.33) MAOAMAOB
SCHEMBL2474526 0.67 CYP1A2 (0.41) MAOAMAOBCYP1A2TSHRCES1
SCHEMBL6687091 0.64 MAOA (0.37) MAOAMAOBABCG2ITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180238-B1 PARTICULARLY SUITABLE FOR USE IN INK JET PRINTING PROCESSES. XEROX CORPORATION 2001-01-30 US claimed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673784-B1 Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salts, morpholine, thiazole, thiazolidine, thiadiazole, and phenothiazine compounds XEROX CORP (US) 1999-10-27 EP claimed
US-5729266-A Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salt, morpholine, thiazole, thiazolidine, thiadiazole and phenothiazine compounds XEROX CORPORATION (US) 1998-03-17 US claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673784-A2 Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salts, morpholine, thiazole, thiazolidine, thiadiazole, and phenothiazine compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
WO-2008021210-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-02-21 WO disclosed
US-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders CHDI, INCORPORATED 2008-02-21 US disclosed
US-6180238-B1 PARTICULARLY SUITABLE FOR USE IN INK JET PRINTING PROCESSES. XEROX CORPORATION 2001-01-30 US disclosed
EP-0743574-B1 Migration imaging members XEROX CORP (US) 2000-12-27 EP disclosed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP disclosed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP disclosed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP disclosed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US disclosed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US disclosed
EP-0673784-A2 Recording sheets containing oxazole, isooxazole, oxazolidinone, oxazoline salts, morpholine, thiazole, thiazolidine, thiadiazole, and phenothiazine compounds XEROX CORPORATION (US) 1995-09-27 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-20080044390-A1 Methods and compositions for the treatment of neurodegenerative disorders HTT, SNCA, NLN MAOA 162/4885MAOB 123/4885ABCG2 3197/4885

“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.