SCHEMBL3504893

SCHEMBL3504893

NC(=O)CNC(=O)c1ccc(OCc2ccc(F)cc2)cn1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.51
▸ PARP10 Q53GL7 1/20 0.51
▸ SPHK2 Q9NRA0 1/20 0.48
▸ P4HTM Q9NXG6 1/20 0.48
▸ BACE1 P56817 1/20 0.47
▸ NR4A2 P43354 1/20 0.46
▸ PRKAA2 P54646 1/20 0.44
▸ MAOA P21397 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44
▸ ITGB3 P05106 1/20 0.44
▸ ITGA2B P08514 1/20 0.44
▸ EPHX2 P34913 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL3505960 0.87 MAOB (0.48) MAOBSPHK2P4HTMBACE1MAOA
SCHEMBL3503834 0.86 MAOB (0.55) MAOBPARP10SPHK2P4HTMNR4A2
SCHEMBL5808067 0.80 SCN9A (0.51) MAOBPARP10P4HTMBACE1NR4A2
SCHEMBL3504363 0.79 P4HTM (0.75) MAOBPARP10P4HTMNR4A2MAOA
SCHEMBL3505966 0.78 MAOB (0.63) MAOBPARP10SPHK2NR4A2MAOA
SCHEMBL3504894 0.78 P4HTM (0.61) MAOBPARP10P4HTMBACE1NR4A2
SCHEMBL12924825 0.78 HPGDS (0.56) MAOBP4HTMKMT2A
SCHEMBL4424401 0.78 SPHK2 (0.53) MAOBPARP10SPHK2NR4A2MAOA
SCHEMBL3507099 0.76 CXCR2 (0.56) MAOBPARP10SPHK2EPHX2
SCHEMBL12896112 0.74 ACACB (0.45) MAOBPARP10

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 663/4885SPHK2 4571/4885
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885PARP10 833/4885SPHK2 1941/4885

“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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