SCHEMBL4692178

SCHEMBL4692178

O=c1c(=O)c2cc(Cl)ccc2sc2ccccc12

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.93
MAPT P10636 6/20 0.54
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
MEN1 O00255 2/20 0.49
HPGD P15428 2/20 0.49
KMT2A Q03164 2/20 0.49
HCRTR1 O43613 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GPR3 P46089 1/20 0.46
LMNA P02545 1/20 0.43
G6PD P11413 2/20 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
SCHEMBL37075 0.96 KDM4E (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL9065353 0.96 KDM4E (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL2341133 0.96 KDM4E (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL29359830 0.96 KDM4E (1.00) KDM4EMAPTALDH1A1NPC1RAB9A
Benzene SCHEMBL28210953 0.95 KDM4E (0.96) KDM4EMAPTALDH1A1NPC1RAB9A
Anthraquinone SCHEMBL28214347 0.89 KDM4E (0.84) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL6070119 0.86 KDM4E (0.81) KDM4EMAPTALDH1A1NPC1RAB9A
Toluene SCHEMBL10943423 0.86 KDM4E (0.79) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL1155667 0.85 KDM4E (0.80) KDM4EMAPTALDH1A1NPC1RAB9A
SCHEMBL23523711 0.85 KDM4E (0.77) KDM4EMAPTALDH1A1NPC1RAB9A

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 3 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-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
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

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-20050227963-A1 1,3-diaza-dibenzoazulenes as inhibitors of tumour necrosis factor production and intermediates for the preparation thereof IL1A, TNF, IL1B KDM4E 2573/4885MAPT 3298/4885ALDH1A1 45/4885

“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.