SCHEMBL14349772

SCHEMBL14349772

COc1ccc2nn(C(C)CC(=O)Nc3ccccc3C(=O)O)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR2 Q8TDS4 4/20 0.53
▸ KMT2A Q03164 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ PRMT5 O14744 5/20 0.46
▸ WDR77 Q9BQA1 5/20 0.46
▸ MAPT P10636 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ GSK3A P49840 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ TRPA1 O75762 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43

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
SCHEMBL14349824 0.80 AKR1C3 (0.43) KMT2AMEN1KDM4EGSK3AGSK3B
SCHEMBL14349697 0.77 HCAR2 (0.64) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL14349704 0.73 HCAR2 (0.74) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL11045973 0.72 HCAR2 (0.68) HCAR2KMT2AMEN1MAPTKDM4E
SCHEMBL14349702 0.70 HCAR2 (0.66) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL10584920 0.70 KMT2A (0.67) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL14349717 0.70 HCAR2 (1.00) HCAR2KMT2AMEN1CASP3SENP8
SCHEMBL10340313 0.69 ALDH1A1 (0.65) HCAR2KMT2AMEN1MAPTKDM4E
SCHEMBL29895475 0.69 ALDH1A1 (0.54) HCAR2KMT2AMEN1MAPTKDM4E
SCHEMBL14349700 0.68 HCAR2 (0.63) HCAR2KMT2AMEN1CASP3SENP8

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 20/4885KMT2A 4056/4885MEN1 3094/4885

“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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