SCHEMBL876044

SCHEMBL876044

OCCc1ccc(Oc2ccc(F)cc2F)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 1/20 0.53
MAP4K4 O95819 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
P2RX3 P56373 3/20 0.39
TRPA1 O75762 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK14 Q16539 4/20 0.37
RPS6KA4 O75676 1/20 0.36
MAPK8 P45983 1/20 0.36
MAPK9 P45984 1/20 0.36
CSNK1E P49674 1/20 0.36
RPS6KA3 P51812 1/20 0.36
MAPK10 P53779 1/20 0.36
MAPK11 Q15759 1/20 0.36
NLK Q9UBE8 1/20 0.36
RXRB P28702 1/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36

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
SCHEMBL29874073 0.89 HSPB1 (0.56) HSPB1MAP4K4MEN1KMT2AKDM4E
SCHEMBL23361483 0.89 HSPB1 (0.56) HSPB1MAP4K4MEN1KMT2AKDM4E
SCHEMBL27295445 0.83 HSPB1 (0.56) HSPB1MAP4K4MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL31473407 0.82 HSPB1 (0.54) HSPB1MAP4K4MEN1KMT2AKDM4E
SCHEMBL883704 0.81 HSPB1 (0.56) HSPB1MAP4K4MEN1KMT2AKDM4E
SCHEMBL9923497 0.79 L3MBTL1 (0.49) MEN1KMT2AL3MBTL1
SCHEMBL17141626 0.78 HSPB1 (0.59) HSPB1MAP4K4MEN1KMT2AKDM4E
SCHEMBL9904964 0.76 MAP4K4 (0.41) HSPB1MAP4K4MEN1KMT2AKDM4E
SCHEMBL3351203 0.75 HSPB1 (0.59) HSPB1MAP4K4MEN1KMT2AKDM4E
SCHEMBL428509 0.75 HSPB1 (0.59) HSPB1MAP4K4MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LTD (GB) 2014-12-25 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
US-8871928-B2 Tricyclic compounds, preparation methods, and their uses GLAXO GROUP LIMITED (GB) 2014-10-28 US disclosed
EP-2619203-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES Glaxo Group Limited (GB) 2013-07-31 EP disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2013-07-11 US disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 WO disclosed
WO-2012037782-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES GLAXO GROUP LIMITED (GB) 2012-03-29 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-20140378487-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 HSPB1 4175/4885MAP4K4 1703/4885MEN1 2428/4885
US-20130178488-A1 TRICYCLIC COMPOUNDS, PREPARATION METHODS, AND THEIR USES LIPG, PCSK9, ENPP2 HSPB1 4175/4885MAP4K4 1703/4885MEN1 2428/4885

“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.