SCHEMBL3503834

SCHEMBL3503834

NC(=O)CNC(=O)c1ccc(OCc2cccc(F)c2)cn1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.55
▸ PARP10 Q53GL7 1/20 0.55
▸ NR4A2 P43354 1/20 0.50
▸ SPHK2 Q9NRA0 1/20 0.50
▸ MAOA P21397 5/20 0.49
▸ SCN9A Q15858 1/20 0.49
▸ P4HTM Q9NXG6 1/20 0.47

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
SCHEMBL3504893 0.86 MAOB (0.51) MAOBPARP10NR4A2SPHK2MAOA
SCHEMBL3505960 0.85 MAOB (0.48) MAOBSPHK2MAOASCN9AP4HTM
SCHEMBL3506405 0.81 MAOB (0.65) MAOBPARP10NR4A2SPHK2MAOA
SCHEMBL3505355 0.81 P4HTM (0.72) MAOBPARP10NR4A2MAOAP4HTM
SCHEMBL4426020 0.81 MAOB (0.55) MAOBPARP10NR4A2SPHK2MAOA
SCHEMBL3503835 0.80 P4HTM (0.60) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL3505676 0.78 GRM5 (0.63) MAOBPARP10NR4A2SPHK2
SCHEMBL963386 0.75 SPHK2 (0.67) MAOBPARP10NR4A2SPHK2MAOA
SCHEMBL4425971 0.74 MRGPRX4 (0.58) MAOBPARP10NR4A2SPHK2
SCHEMBL12924825 0.74 HPGDS (0.56) MAOBSCN9AP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 — — US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 — — WO claimed
EP-1474394-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP claimed
US-6667327-B2 Pyridine amido derivatives HOFFMANN-LA ROCHE INC. 2003-12-23 — — US claimed
US-20030158235-A1 Pyridine amido derivatives F.HOFFMAN-LA ROCHE AG (CH) 2003-08-21 — — US claimed
WO-2003066596-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — WO claimed
US-20100247543-A1 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS, S.A. (ES) 2010-09-30 — — US disclosed
EP-2195029-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES Oryzon Genomics SA (ES) 2010-06-16 — — EP disclosed
WO-2009027349-A2 TREATMENT AND PREVENTION OF NEURODEGENERATIVE DISEASES ORYZON GENOMICS SA (ES) 2009-03-05 — — WO disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 — — US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 — — WO disclosed
EP-1474394-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2004-11-10 — — EP disclosed
US-6667327-B2 Pyridine amido derivatives HOFFMANN-LA ROCHE INC. 2003-12-23 — — US disclosed
US-20030158235-A1 Pyridine amido derivatives F.HOFFMAN-LA ROCHE AG (CH) 2003-08-21 — — US disclosed
WO-2003066596-A1 PYRIDINEAMIDO DERIVATIVES AS INHIBITORS OF MONOAMINE OXIDASE (MAO-B) F. HOFFMANN-LA ROCHE AG (CH) 2003-08-14 — — 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-20030158235-A1 Pyridine amido derivatives MAOB, MAOA, XDH MAOB 1/4885PARP10 663/4885NR4A2 2930/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885PARP10 833/4885NR4A2 2769/4885

“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.

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