SCHEMBL4294289

SCHEMBL4294289

CONC(=O)c1ncc2cc(Cc3ccc(F)cc3)cnc2c1O

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGLN2 Q96KS0 8/20 0.40
EGLN1 Q9GZT9 7/20 0.40
GRM2 Q14416 5/20 0.39
MAOA P21397 1/20 0.38
MCHR1 Q99705 1/20 0.35

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
SCHEMBL1593434 0.88 GRM2 (0.38) EGLN2EGLN1GRM2
SCHEMBL3896068 0.87 EGLN2 (0.41) EGLN2EGLN1MAOAMCHR1
SCHEMBL13850908 0.86 EGLN2 (0.45) EGLN2EGLN1
SCHEMBL3895015 0.85 EGLN2 (0.40) EGLN2EGLN1MAOAMCHR1
SCHEMBL3899093 0.84 GRM2 (0.40) GRM2
SCHEMBL3890871 0.84 EGLN2 (0.38) EGLN2EGLN1GRM2MAOA
SCHEMBL3963691 0.83 KDM4E (0.36) EGLN2EGLN1GRM2
SCHEMBL3898382 0.83 GRIN2B (0.38) EGLN2EGLN1GRM2MAOAMCHR1
SCHEMBL3891640 0.83 EGLN2 (0.38) EGLN2EGLN1
SCHEMBL13850960 0.82 LTA4H (0.35) EGLN2EGLN1GRM2MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2009-05-07 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase MURAI HITOSHI 2006-11-02 US disclosed
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase SHIONOGI & CO., LTD. (JP) 2006-06-15 US disclosed
EP-1541558-A1 HETEROCYCLIC COMPOUND HAVING HIV INTEGRASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2005-06-15 EP 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-20090118233-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 EGLN2 3504/4885EGLN1 3314/4885GRM2 4122/4885
US-20060247212-A1 Heterocyclic compounds having inhibitory activity against HIV integrase CYP3A7, CDK7, CYP2A7 EGLN2 3496/4885EGLN1 3279/4885GRM2 4144/4885
US-20060128669-A1 Heterocyclic compounds having inhibitory activity against hiv integrase CYP3A7, CDK7, CYP2A7 EGLN2 3504/4885EGLN1 3314/4885GRM2 4122/4885

“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.