SCHEMBL5606875

SCHEMBL5606875

COC(=O)c1cccc(-c2cc(C)ncn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
GABRA5 P31644 1/20 0.51
GABRA3 P34903 1/20 0.51
CDK8 P49336 1/20 0.50
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
THRB P10828 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
ERN1 O75460 1/20 0.47
KMO O15229 1/20 0.47
KDM4E B2RXH2 1/20 0.47
KDM6B O15054 1/20 0.47
KDM5C P41229 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
KDM2A Q9Y2K7 1/20 0.47

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
SCHEMBL5564129 0.83 MAPT (0.53) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL5562183 0.81 CDK8 (0.54) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL27615849 0.80 KMO (0.48) MAPTLMNATP53THRBKMO
SCHEMBL4264588 0.79 ABL1 (0.53) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL13680584 0.79 GABRG2 (0.53) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL67941 0.79 CA12 (0.68) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL28493467 0.78 KDM4E (0.60) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL5564450 0.78 KDM4E (0.63) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL5563045 0.78 GABRG2 (0.56) GABRG2GABRB3GABRA5GABRA3CDK8
SCHEMBL5563044 0.77 DHFR (0.50) GABRG2GABRB3GABRA5GABRA3CDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235547-B2 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. (US) 2007-06-26 US disclosed
US-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist HOFFMANN-LA ROCHE INC. 2005-03-03 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-20050049243-A1 Pharmaceutical composition comprising an AChE inhibitor and a mGluR2 antagonist GRM2, GRIK2, GRIA2 GABRG2 533/4885GABRB3 1011/4885GABRA5 620/4885

“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.