SCHEMBL5227751

SCHEMBL5227751

O=Cc1cc2c([nH]1)-c1ccccc1Oc1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.43
MAOB P27338 2/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 2/20 0.37
ATM Q13315 1/20 0.37
ELANE P08246 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
STK17B O94768 2/20 0.33
MAOA P21397 1/20 0.32
TOP1 P11387 1/20 0.32
TOP2A P11388 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NTSR1 P30989 1/20 0.31
GPR55 Q9Y2T6 1/20 0.31
HDAC3 O15379 1/20 0.31
RECQL P46063 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 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
SCHEMBL5228301 0.87 MAPK1 (0.42) CYP2A6MAOBKDM4EMAPK1MEN1
SCHEMBL5225539 0.73 CYP2A6 (0.40) CYP2A6KDM4EMAPK1MEN1KMT2A
SCHEMBL22193194 0.71 KDM4E (0.38) CYP2A6KDM4ESTK17BKDR
SCHEMBL5693983 0.66 MAPK1 (0.61) MAOBKDM4EMAPK1ATMMEN1
SCHEMBL19537981 0.66 MAPK1 (0.61) MAOBKDM4EMAPK1ATMMEN1
SCHEMBL3888313 0.66 CYP2A6 (0.42) CYP2A6MAOBKDM4EMAPK1ATM
SCHEMBL5225284 0.65 KDM4E (0.45) MAOBKDM4EMAPK1ATMMEN1
SCHEMBL27923265 0.64 CES1 (0.42) CYP2A6MAOBMAOATDP1CDK1
SCHEMBL6234318 0.61 MAPK1 (0.35) MAOBKDM4EMAPK1ATMELANE
SCHEMBL2222059 0.61 KDM4E (0.50) MAOBKDM4EMAPK1ATMSTK17B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312203-B2 1-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GlaxoSmithKline istraziva{hacek over (c)}ki Centar Zagreb d.o.o. (HR) 2007-12-25 US claimed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP claimed
US-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US claimed
EP-1684746-A1 USE OF 1-AZA-DIBENZO[e,h]|AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP claimed
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US claimed
WO-2005049011-A1 USE OF 1-AZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 WO claimed
US-7312203-B2 1-aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GlaxoSmithKline istraziva{hacek over (c)}ki Centar Zagreb d.o.o. (HR) 2007-12-25 US disclosed
EP-1506202-B1 1-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2007-08-08 EP disclosed
US-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2007-05-17 US disclosed
EP-1684746-A1 USE OF 1-AZA-DIBENZO[e,h]|AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2006-08-02 EP disclosed
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-09-22 US disclosed
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US disclosed
WO-2005049011-A1 USE OF 1-AZA-DIBENZO[e,h]AZULENES FOR THE MANUFACTURE OF PHARMACEUTICAL FORMULATIONS FOR THE TREATMENT AND PREVENTION OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-02 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 (3 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-20070111968-A1 1-Aza-dibenzo[e,h]azulenes for the treatment of central nervous system diseases and disorders DBH, BCHE, DDT CYP2A6 288/4885MAOB 6/4885KDM4E 591/4885
US-20050209191-A1 1-Aza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP2A6 416/4885MAOB 1744/4885KDM4E 1120/4885
US-20050148578-A1 1-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the preparation thereof TNF, IL1A, IL1B CYP2A6 460/4885MAOB 1805/4885KDM4E 1109/4885

“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.