SCHEMBL14349758

SCHEMBL14349758

O=C(CCc1ccc2ccncc2c1)Nc1ccccc1C(=O)O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 17/20 0.71
▸ KDM6B O15054 2/20 0.65
▸ KDM4D Q6B0I6 2/20 0.65
▸ KDM4C Q9H3R0 2/20 0.65
▸ EGLN3 Q9H6Z9 1/20 0.65
▸ CYP2C9 P11712 2/20 0.55
▸ CYP2C8 P10632 1/20 0.55
▸ TRPV1 Q8NER1 1/20 0.55

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
SCHEMBL14349756 0.95 HCAR2 (0.74) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL14349762 0.88 HCAR2 (0.64) HCAR2KDM6BKDM4DKDM4CEGLN3
SCHEMBL5623042 0.88 HCAR2 (0.85) HCAR2
SCHEMBL14349720 0.83 HCAR2 (1.00) HCAR2CYP2C9
SCHEMBL14349727 0.82 HCAR2 (0.80) HCAR2
SCHEMBL14349747 0.82 HCAR2 (0.80) HCAR2
SCHEMBL14349749 0.82 HCAR2 (0.80) HCAR2
SCHEMBL14349735 0.81 HCAR2 (1.00) HCAR2
SCHEMBL14349744 0.81 HCAR2 (0.78) HCAR2TRPV1
SCHEMBL14349748 0.81 HCAR2 (0.78) HCAR2

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 20/4885KDM6B 4689/4885KDM4D 4754/4885

“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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