SCHEMBL4036815

SCHEMBL4036815

O=C(O)C1Cc2ccccc2Oc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
CYP2C9 P11712 1/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL5731810 1.00 MAOA (0.48) MAOAMAOBCYP2C9ATMALDH1A1
SCHEMBL8118995 0.84 HRH2 (0.48) MAOBALDH1A1LMNANPSR1MEN1
SCHEMBL2992253 0.81 KLK5 (0.52) MAOAMAOBALDH1A1TSHRMEN1
SCHEMBL2083786 0.80 ALDH1A1 (0.53) ALDH1A1HDAC4HDAC7HDAC5TSHR
SCHEMBL29559032 0.80 ALDH1A1 (0.53) ALDH1A1HDAC4HDAC7HDAC5TSHR
SCHEMBL8173887 0.75 MAOA (0.61) MAOAMAOBCYP2C9ATMHDAC3
Xanthene Carboxylic Acid SCHEMBL40617 0.72 ATM (0.68) MAOAMAOBCYP2C9ATMALDH1A1
Xanthene Carboxylic Acid SCHEMBL30011680 0.72 ATM (0.68) MAOAMAOBCYP2C9ATMALDH1A1
SCHEMBL11527078 0.72 PPARG (0.57) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL19821084 0.72 MAOA (0.50) MAOAMAOBATMHDAC3HDAC4

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-7612054-B2 Dibenzo[b,f]oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2009-11-03 US disclosed
US-20090182021-A1 Tricyclic Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090182021-A1 Tricyclic Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
US-20090182021-A1 Tricyclic Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease MERCK SHARP & DOHME CORP. 2009-07-16 US disclosed
EP-1651592-B1 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2009-04-29 EP disclosed
US-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof NOVARTIS AG (CH) 2007-05-17 US disclosed
EP-1651592-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF Novartis AG (CH) 2006-05-03 EP disclosed
WO-2005014517-A2 NOVEL DIBENZO[B,F]OXEPINE-10-CARBOXAMIDES AND PHARMACEUTICAL USES THEREOF NOVARTIS AG (CH) 2005-02-17 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-20070111991-A1 Novel dibenzo [b, f] oxepine-10-carboxamides and pharmaceutical uses thereof APP, BACE1, BCHE MAOA 16/4885MAOB 5/4885CYP2C9 320/4885
US-20090182021-A1 Tricyclic Beta-Secretase Inhibitors for the Treatment of Alzheimer's Disease BACE1, BACE2, PSEN1 MAOA 260/4885MAOB 299/4885CYP2C9 2915/4885

“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.