SCHEMBL4696033

SCHEMBL4696033

O=c1c(=O)c2ccccc2sc2ccccc12

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.68
KDM4E B2RXH2 3/20 0.61
MAPT P10636 9/20 0.55
ALDH1A1 P00352 8/20 0.55
RAB9A P51151 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
TDP1 Q9NUW8 3/20 0.55
NPC1 O15118 2/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
POLB P06746 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HPGD P15428 2/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
ALOX15 P16050 1/20 0.50

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
SCHEMBL10476774 0.94 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1RAB9A
SCHEMBL9160474 0.94 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1RAB9A
SCHEMBL36332 0.94 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1RAB9A
SCHEMBL29374932 0.94 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1RAB9A
SCHEMBL30515127 0.94 GPR3 (0.68) GPR3KDM4EMAPTALDH1A1RAB9A
Hydrogen Sulfide SCHEMBL23748456 0.92 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1RAB9A
Ammonia Solution, Strong SCHEMBL6303550 0.92 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL585838 0.92 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1RAB9A
Ammonia Solution, Strong SCHEMBL1871981 0.92 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1RAB9A
Hydrochloric Acid SCHEMBL31515137 0.92 GPR3 (0.65) GPR3KDM4EMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1509528-B1 1,3-DIAZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PREPARATION THEREOF GLAXOSMITHKLINE ZAGREB (HR) 2008-09-24 EP disclosed
US-7232815-B2 1-oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof GLAXOSMITHKLINE (HR) 2007-06-19 US disclosed
US-7166583-B2 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2007-01-23 US disclosed
EP-1492797-B1 1-OXA-3-AZA-DIBENZOAZULENES AS INHIBITORS OF TUMOUR NECROSIS FACTOR PRODUCTION AND INTERMEDIATES FOR THE PRODUCTION THEREOF PLIVA ISTRAZIVACKI INST D O O (HR) 2006-03-15 EP disclosed
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2005-10-13 US disclosed
US-20050148576-A1 1-Oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-07-07 US disclosed
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof PLIVA-ISTRAZIVACKI INSTITUT D.O.O. (HR) 2005-06-16 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 (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-20050148576-A1 1-Oxa-3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof TNF, IL1A, IL1B GPR3 2762/4885KDM4E 1436/4885MAPT 3877/4885
US-20050130956-A1 1-oxa 3-aza-dibenzoazulenes as inhibitors of tumor necrosis factor production and intermediates for the production thereof TNF, IL1A, IL1B GPR3 2577/4885KDM4E 1411/4885MAPT 3599/4885
US-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B GPR3 2815/4885KDM4E 2573/4885MAPT 3298/4885

“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.