SCHEMBL2895259

SCHEMBL2895259

NC(=O)Cc1csc(Br)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.47
GABRB2 P47870 1/20 0.47
HSD17B10 Q99714 1/20 0.47
LMNA P02545 2/20 0.45
CSNK2A1 P68400 1/20 0.40
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TP53 P04637 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36

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
SCHEMBL3180067 0.82 HSD17B10 (0.63) GABRA5GABRB2HSD17B10LMNAALDH1A1
SCHEMBL1797901 0.80 GABRA5 (0.72) GABRA5GABRB2HSD17B10LMNAALDH1A1
SCHEMBL14445035 0.80 GABRA5 (0.43) GABRA5GABRB2HSD17B10LMNAALDH1A1
SCHEMBL27264193 0.78 GABRA5 (0.46) GABRA5GABRB2HSD17B10LMNACSNK2A1
SCHEMBL8055646 0.78 GABRA5 (0.46) GABRA5GABRB2HSD17B10LMNACSNK2A1
SCHEMBL2745279 0.78 GABRA5 (0.46) GABRA5GABRB2HSD17B10LMNACSNK2A1
SCHEMBL5544014 0.78 SMN1; SMN2 (0.57) GABRA5GABRB2HSD17B10LMNAALDH1A1
SCHEMBL10431345 0.78 GABRA5 (0.46) GABRA5GABRB2HSD17B10LMNACSNK2A1
SCHEMBL15581589 0.77 GABRA5 (0.44) GABRA5GABRB2HSD17B10LMNACSNK2A1
SCHEMBL26340909 0.76 PDE5A (0.41) GABRA5GABRB2HSD17B10ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
US-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK SHARP & DOHME CORP. 2010-03-18 US disclosed
CN-101573033-A Heterocyclyl-substituted anti-hypercholesterolemic compounds MERCK & CO INC (US) 2009-11-04 CN disclosed
WO-2008057336-A2 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS MERCK & CO., INC. (US) 2008-05-15 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-20100069347-A1 HETEROCYCLYL-SUBSTITUTED ANTI-HYPERCHOLESTEROLEMIC COMPOUNDS LDLR, PCSK9, CYP46A1 GABRA5 4178/4885GABRB2 4136/4885HSD17B10 58/4885

“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.