SCHEMBL7004436

SCHEMBL7004436

Nc1nccc(Cc2ccc(OCc3cccc(F)c3)cc2)c1N

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.59
PARP10 Q53GL7 1/20 0.50
NR4A2 P43354 1/20 0.48
MAOA P21397 4/20 0.45
SCN9A Q15858 1/20 0.45

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
SCHEMBL7000300 0.78 KCNH2 (0.42) MAOBSCN9A
SCHEMBL5214698 0.77 DHFR (0.63) MAOB
SCHEMBL3906522 0.77 MPO (0.43) MAOB
SCHEMBL1379497 0.75 MAOB (1.00) MAOBPARP10NR4A2MAOA
SCHEMBL992837 0.75 MAOB (1.00) MAOBPARP10NR4A2
SCHEMBL29638127 0.75 MAOB (1.00) MAOBPARP10NR4A2MAOA
SCHEMBL624562 0.75 MAOB (0.62) MAOBPARP10NR4A2
Hydrochloric Acid SCHEMBL21313331 0.74 MAOB (1.00) MAOBPARP10NR4A2
Hydrochloric Acid SCHEMBL2197705 0.74 MAOB (1.00) MAOBPARP10NR4A2MAOA
SCHEMBL7499087 0.73 LTA4H (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6335354-B2 FOR TREATMENT OF NEURONAL DAMAGE FOLLOWING GLOBAL AND FOCAL ISCHEMIA, TREATMENT OR PREVENTION OF NEURODEGENERATIVE CONDITIONS SUCH AS AMYOTROPHIC LATERAL SCLEROSIS, TREATMENT OR PREVENTION OF DIABETIC NEUROPATHY COCENSYS INC. 2002-01-01 US claimed
US-20010044428-A1 Aminopyridines and methods of using thereof COCENSYS, INC. 2001-11-22 US claimed
EP-1268427-A1 AMINOPYRIDINES AND THEIR USE AS ANTICONVULSANTS AND SODIUM CHANNEL BLOCKERS Cocensys, Inc. (US) 2003-01-02 EP disclosed
US-6335354-B2 FOR TREATMENT OF NEURONAL DAMAGE FOLLOWING GLOBAL AND FOCAL ISCHEMIA, TREATMENT OR PREVENTION OF NEURODEGENERATIVE CONDITIONS SUCH AS AMYOTROPHIC LATERAL SCLEROSIS, TREATMENT OR PREVENTION OF DIABETIC NEUROPATHY COCENSYS INC. 2002-01-01 US disclosed
US-20010044428-A1 Aminopyridines and methods of using thereof COCENSYS, INC. 2001-11-22 US disclosed
WO-2001074779-A1 AMINOPYRIDINES AND THEIR USE AS ANTICONVULSANTS AND SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2001-10-11 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-20010044428-A1 Aminopyridines and methods of using thereof CACNA1S, CACNA1D, CACNA1C MAOB 1557/4885PARP10 4033/4885NR4A2 3705/4885

“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.