SCHEMBL3925655

SCHEMBL3925655

CCc1ccc(Oc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 16/20 0.68
HDAC3 O15379 1/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MPL P40238 1/20 0.52

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
SCHEMBL3928049 0.90 CHEK2 (0.84) CHEK2
SCHEMBL3569187 0.90 CHEK2 (0.66) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3567770 0.90 CHEK2 (0.66) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3919712 0.87 CHEK2 (0.67) CHEK2
SCHEMBL3916748 0.87 CHEK2 (0.82) CHEK2
SCHEMBL3926681 0.87 CHEK2 (0.81) CHEK2
SCHEMBL3917925 0.86 CHEK2 (0.68) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL7993467 0.86 MPL (0.61) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL5189120 0.85 CHEK2 (0.69) CHEK2HDAC3HDAC1HDAC8HDAC6
SCHEMBL3917341 0.85 CHEK2 (0.67) CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 US claimed
US-7504414-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2009-03-17 US disclosed
US-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines ARIENTI KRISTEN L 2008-01-10 US disclosed
US-7271261-B2 Substituted benzimidazoles and imidazo-[4,5]-pyridines ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2007-09-18 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-20080009493-A1 Substituted Benzimidazoles and Imidazo-[4,5]-Pyridines CDKN1A, DDB1, TMBIM6 CHEK2 14/4885HDAC3 1336/4885HDAC1 361/4885

“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.