SCHEMBL5635490

SCHEMBL5635490

CC(=O)Sc1cc2oc(=O)n(C(C)=O)c2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMO O15229 15/20 0.41
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
ASAH1 Q13510 1/20 0.37
OGT O15294 1/20 0.34
IDO1 P14902 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL27306895 0.68 CA12 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL2895008 0.67 KDM4E (0.43) ALDH1A1ASAH1IDO1MEN1POLB
SCHEMBL10165252 0.67 ASAH1 (0.52) ALDH1A1TP53ASAH1IDO1MEN1
SCHEMBL11151801 0.66 ALDH1A1 (0.40) KMOALDH1A1TP53ASAH1OGT
SCHEMBL18197931 0.60 KMO (0.81) KMO
SCHEMBL27593552 0.60 HPGD (0.49) ALDH1A1TP53MEN1POLBKMT2A
SCHEMBL5171250 0.59 ALDH1A1 (0.50) ALDH1A1TP53ASAH1IDO1POLB
SCHEMBL16836556 0.58 KMO (1.00) KMO
SCHEMBL9053204 0.58 CA12 (0.46) ALDH1A1TP53POLB
SCHEMBL9025707 0.58 ALDH1A1 (0.35) ALDH1A1POLB

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-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
US-7148236-B2 Modulators of acetylcholine receptors MERCK & CO., INC. (US) 2006-12-12 US disclosed
US-20050182088-A1 Modulators of acetylcholine receptors MERCK SHARP & DOHME CORP. 2005-08-18 US disclosed
EP-1472248-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2004-11-03 EP disclosed
WO-2003062235-A1 MODULATORS OF ACETYLCHOLINE RECEPTORS ELI LILLY AND COMPANY (US) 2003-07-31 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 (2 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-20050182088-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 KMO 665/4885ALDH1A1 1036/4885TP53 4506/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 KMO 786/4885ALDH1A1 581/4885TP53 4184/4885

“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.