SCHEMBL5098119

SCHEMBL5098119

c1cncc(CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ DAO P14920 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ GFER P55789 2/20 0.43
▸ CYP17A1 P05093 3/20 0.41
▸ CYP19A1 P11511 3/20 0.41
▸ HSD11B1 P28845 2/20 0.41
▸ P2RX7 Q99572 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PDE7A Q13946 1/20 0.39
▸ PLA2G7 Q13093 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14277205 0.72 LMNA (0.47) ALDH1A1MEN1LMNAKMT2ACYP17A1
SCHEMBL14277210 0.72 ALDH1A1 (0.47) ALDH1A1MEN1LMNAKMT2ACYP17A1
SCHEMBL14277208 0.70 ALDH1A1 (0.45) ALDH1A1MEN1LMNAKMT2ACYP17A1
SCHEMBL5098036 0.67 TSHR (0.38) ALDH1A1HSD11B1L3MBTL1KDM4E
SCHEMBL14277212 0.67 ALDH1A1 (0.44) ALDH1A1MEN1LMNAKMT2ACYP17A1
SCHEMBL10503242 0.66 DAO (0.50) ALDH1A1LMNADAOHPGDGFER
SCHEMBL6408940 0.64 NPC1 (0.58) ALDH1A1MEN1LMNAKMT2ADAO
SCHEMBL1770095 0.64 HSD11B1 (0.62) ALDH1A1MEN1LMNAKMT2ACYP17A1
SCHEMBL6408433 0.64 PLA2G7 (0.50) DAOHPGDGFERPDE7APLA2G7
SCHEMBL3360289 0.63 CYP17A1 (0.60) ALDH1A1MEN1KMT2ACYP17A1CYP19A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-7329683-B2 11-β-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK & CO., INC. (US) 2008-02-12 — — US disclosed
US-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia MERCK SHARP & DOHME CORP. 2005-03-31 — — 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-20050070720-A1 11-Beta-hydroxysteroid dehydrogenase 1 inhibitors useful for the treatment of diabetes, obesity and dyslipidemia HSD11B1, HSD17B1, HSD11B2 ALDH1A1 688/4885MEN1 2285/4885LMNA 2584/4885

“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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