SCHEMBL14349877

SCHEMBL14349877

COC(=O)c1ccccc1NC(=O)CCc1nn(C)c2c1CCc1cc(OC)ccc1-2

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 6/20 0.70
▸ CYP2C9 P11712 3/20 0.70
▸ CYP2C8 P10632 2/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ TP53 P04637 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ PRMT5 O14744 3/20 0.46
▸ WDR77 Q9BQA1 3/20 0.46
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CCNA2 P20248 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ PLK1 P53350 1/20 0.41
▸ CCNA1 P78396 1/20 0.41

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
SCHEMBL14349875 0.93 HCAR2 (0.81) HCAR2CYP2C9CYP2C8KDM4EKMT2A
SCHEMBL14349872 0.88 HCAR2 (0.56) HCAR2CYP2C9CYP2C8KDM4ETP53
SCHEMBL14349879 0.87 HCAR2 (0.70) HCAR2CYP2C9CYP2C8KDM4ETP53
SCHEMBL14349874 0.82 HCAR2 (1.00) HCAR2CYP2C9CYP2C8
SCHEMBL14349870 0.82 HCAR2 (0.63) HCAR2CYP2C9CYP2C8KDM4ETP53
SCHEMBL14349876 0.80 HCAR2 (0.81) HCAR2CYP2C9CYP2C8KDM4EKMT2A
SCHEMBL14349878 0.80 HCAR2 (0.52) HCAR2CYP2C9KDM4ETP53ALDH1A1
SCHEMBL14349859 0.76 HCAR2 (0.79) HCAR2CYP2C9CYP2C8KDM4ETP53
SCHEMBL14349868 0.76 HCAR2 (0.56) HCAR2CYP2C9CYP2C8KDM4EKMT2A
SCHEMBL14349860 0.75 HCAR2 (0.57) HCAR2CYP2C9CYP2C8KDM4ETP53

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-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — US disclosed
US-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2007-12-27 — — 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-20070299101-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 HCAR2 20/4885CYP2C9 973/4885CYP2C8 1313/4885

“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.

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