SCHEMBL13781563

SCHEMBL13781563

Cc1csc(NC(=O)CCc2ccc(-c3ccccc3)cc2)c1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 8/20 0.52
RAB9A P51151 4/20 0.51
POLB P06746 3/20 0.51
MAPK8 P45983 1/20 0.50
MAPK9 P45984 1/20 0.50
MAPK10 P53779 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LTB4R Q15722 1/20 0.47
NPC1 O15118 2/20 0.47
CNR2 P34972 1/20 0.46
FFAR1 O14842 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
HDAC2 Q92769 1/20 0.45

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
SCHEMBL5275098 0.81 HCAR2 (0.56) HCAR2POLBLTB4R
SCHEMBL13781560 0.81 ALDH1A1 (0.56) HCAR2POLBLTB4RCNR2SMN1; SMN2
SCHEMBL1954783 0.77 HCAR2 (0.57) HCAR2RAB9APOLBMEN1KMT2A
SCHEMBL5066827 0.77 HCAR2 (0.83) HCAR2RAB9APOLBNPC1FFAR1
SCHEMBL1954102 0.76 ANO1 (0.61) MEN1KMT2ASMN1; SMN2
SCHEMBL7955092 0.76 KMT2A (0.52) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL1954819 0.76 MEN1 (0.56) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL12271465 0.76 MEN1 (0.67) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL1952340 0.76 MEN1 (0.64) RAB9APOLBMEN1KMT2ANPC1
SCHEMBL12271417 0.76 ANO1 (0.60) RAB9AMEN1KMT2ANPC1

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-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-07-02 US disclosed
US-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-07-02 US disclosed
WO-2007120575-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-10-25 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-20090170891-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment HCAR1, HCAR2, FFAR1 HCAR2 2/4885RAB9A 2712/4885POLB 3369/4885

“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.