SCHEMBL13933804

SCHEMBL13933804

CCCNC(CC(=O)Nc1ccccc1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ HCAR2 Q8TDS4 5/20 0.49
▸ KDM4E B2RXH2 4/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HPGD P15428 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ POLB P06746 1/20 0.45
▸ TERT O14746 2/20 0.45
▸ CYP2D6 P10635 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ SLC6A3 Q01959 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL6781577 0.81 KMT2A (0.58) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL14349712 0.80 KMT2A (0.60) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL14349698 0.74 HCAR2 (0.60) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL13933871 0.73 ALDH1A1 (0.42) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL14349710 0.73 HCAR2 (0.63) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL14349718 0.73 KDM4E (0.51) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL14349697 0.72 HCAR2 (0.64) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL6784915 0.71 KMT2A (0.57) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL28605599 0.71 HCAR2 (0.70) KMT2AMEN1CASP3SENP8SENP7
SCHEMBL13954049 0.70 SMN1; SMN2 (0.50) KMT2AMEN1CASP3SENP8SENP7

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-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 — — US disclosed
US-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-02-12 — — US disclosed
WO-2007075749-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-07-05 — — 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-20090042926-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, GPR119 KMT2A 3832/4885MEN1 1955/4885CASP3 3696/4885

“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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