SCHEMBL4965043

SCHEMBL4965043

Cc1ccccc1[C@@H](O)CCc1c(C(=O)N(C)C)cc2c(nc(C)n2C)c1O

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 2/20 0.33
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
CYP2D6 P10635 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PABPC1 P11940 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4962050 1.00 CTSA (0.33) CTSACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4962044 1.00 CTSA (0.33) CTSACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4963790 0.91
SCHEMBL4964182 0.91 AOC3 (0.34) CTSA
SCHEMBL5118253 0.91 CTSA (0.33) CTSA
SCHEMBL4964179 0.91 AOC3 (0.34) CTSA
SCHEMBL5118258 0.91 CTSA (0.33) CTSA
SCHEMBL4963794 0.91
SCHEMBL5138943 0.89 CXCR2 (0.33) KDM4EALDH1A1
SCHEMBL4664643 0.89 CXCR2 (0.33) KDM4EALDH1A1

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 CTSA 3031/4885CYP1A2 7/4885CYP3A4 3/4885

“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.