SCHEMBL3506409

SCHEMBL3506409

COC(C)n1nc(-c2ccc(OCC=CC(F)(F)F)cc2)oc1=O

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
GAA P10253 1/20 0.33
MAOB P27338 2/20 0.33
MAPK1 P28482 1/20 0.32
SMPD1 P17405 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
S1PR5 Q9H228 1/20 0.31
NOTUM Q6P988 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
SCHEMBL3506404 1.00 KDM4E (0.33) KDM4EALDH1A1MAPTPOLBCYP2C9
SCHEMBL3503050 0.81 MAOB (0.38) CYP2C9MAOB
SCHEMBL3506406 0.79 MAOB (0.43) GAAMAOB
SCHEMBL7300033 0.79 MAOB (0.43) GAAMAOB
SCHEMBL3505304 0.78 GPR55 (0.33) KDM4EALDH1A1MAPTPOLBCYP2C9
SCHEMBL7297313 0.76 MAOB (0.56) KDM4EALDH1A1MAPTPOLBHPGD
SCHEMBL9424213 0.74 S1PR1 (0.47) KDM4EALDH1A1MAPTHPGDMAOB
SCHEMBL7302416 0.73 NOTUM (0.40) KDM4EHPGDGAANOTUM
SCHEMBL3505978 0.69 MAOB (0.38) KDM4EALDH1A1MAPTCYP2C9MAOB
SCHEMBL3504312 0.67 MAOB (0.37) KDM4EALDH1A1MAPTCYP2C9MAOB

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 8 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
US-5525619-A INHIBITORS OF MONOAMINE OXIDASE B SYNTHELABO (FR) 1996-06-11 US claimed
EP-0655445-A1 1,3,4-oxadiazol-2(3H)-one Derivates, their preparation and their use as monoamine oxidase inhibitors SYNTHELABO (FR) 1995-05-31 EP 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

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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 KDM4E 306/4885ALDH1A1 664/4885MAPT 2325/4885

“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.