SCHEMBL12900108

SCHEMBL12900108

O=C(Nc1ccccc1C(=O)O)c1cc(-c2cccc3ccccc23)cs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 1/20 0.53
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ GFER P55789 2/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ POLB P06746 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ MCL1 Q07820 2/20 0.47
▸ SOS1 Q07889 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ PTGER4 P35408 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ ACMSD Q8TDX5 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL12900110 0.81 RAB9A (0.52) GFERALDH1A1KDM4EMEN1KMT2A
SCHEMBL7236771 0.79 KDM4E (0.51) SERPINE1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12900083 0.77 GFER (0.48) SERPINE1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7240523 0.77 CHRNB2 (0.52) SERPINE1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12900098 0.76 KDM4E (0.48) SERPINE1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL24932419 0.75 MCL1 (0.44) MCL1ACMSDDHODHCYP2C9CYP2C19
SCHEMBL9281809 0.75 GFER (0.76) CHRNB2CHRNB4CHRNA3CHRNA4GFER
SCHEMBL12900087 0.75 MCL1 (0.52) GFERALDH1A1MEN1KMT2APOLB
SCHEMBL6451894 0.74 HCAR2 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL12900086 0.73 HCAR2 (0.53) ALDH1A1KDM4EMEN1KMT2APOLB

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-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2011-02-03 — — US disclosed
US-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2011-02-03 — — US disclosed
WO-2007035478-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-03-29 — — 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-20110028462-A1 Niacin Receptor Agonists, compositions Containing Such Compounds and Methods of Treatment LDLR, APOB, FFAR1 SERPINE1 447/4885CHRNB2 910/4885CHRNB4 892/4885

“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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