SCHEMBL4963452

SCHEMBL4963452

Cc1nc2c(O)c(CCC(=O)c3ccccc3OCc3ccccc3)c(C(=O)N(C)C)cc2n1C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 16/20 0.39
FFAR4 Q5NUL3 1/20 0.38
LRRK2 Q5S007 1/20 0.38
EGFR P00533 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 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
SCHEMBL4964361 0.89 IDO1 (0.38) MAPTSMN1; SMN2
SCHEMBL4963781 0.85 CTNNB1 (0.35) CYP2C9CYP2C19L3MBTL1
SCHEMBL14161717 0.84 FFAR4 (0.35) ABCB1FFAR4
SCHEMBL4664618 0.84 KMT2A (0.35)
SCHEMBL4963749 0.83 GSK3B (0.35) SMN1; SMN2
SCHEMBL4965054 0.83 HCRTR1 (0.32)
SCHEMBL5108006 0.83 CXCR3 (0.35) MAPTSMN1; SMN2
SCHEMBL4964235 0.81 CTNNB1 (0.37) SMN1; SMN2
SCHEMBL4963738 0.79 PDK1 (0.31) MAPT
SCHEMBL4963473 0.79 SMN1; SMN2 (0.41) MAPTSMN1; SMN2

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
US-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles NYCOMED GMBH (DE) 2008-11-13 US disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 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 (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-20080280855-A1 Process For the Production of Intermediates For the Preparation of Tricyclic Benzimidazoles CYP1B1, CYP1A1, CYP3A4 ABCB1 389/4885FFAR4 2935/4885LRRK2 3836/4885

“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.