SCHEMBL5634830

SCHEMBL5634830

N#CSc1ccc(O)c(Br)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.45
CA2 P00918 1/20 0.44
CA5A P35218 1/20 0.44
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
POLB P06746 1/20 0.40
GFER P55789 1/20 0.36
ALOX12 P18054 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA2 P47869 1/20 0.34
FTO Q9C0B1 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
TTR P02766 1/20 0.33
ALB P02768 1/20 0.33
CYP19A1 P11511 4/20 0.32

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
SCHEMBL27679768 0.81 CA2 (0.44) ALOX15CA2CA5AALDH1A1MAPT
SCHEMBL70601 0.76 ALOX15 (0.54) ALOX15ALDH1A1MAPTALOX12KMT2A
SCHEMBL10414946 0.76 ALDH1A1 (0.56) CA2CA5AALDH1A1MAPTPOLB
SCHEMBL944163 0.76 ALDH1A1 (0.50) ALOX15CA2CA5AALDH1A1MAPT
SCHEMBL6930947 0.76 CA2 (0.40) CA2CA5AALDH1A1MAPTPOLB
SCHEMBL2705285 0.76 TSHR (0.45) CA2CA5AALDH1A1MAPTPOLB
SCHEMBL8529340 0.76 ALOX15 (0.41) ALOX15CA2ALDH1A1ALOX12KMT2A
SCHEMBL9199758 0.72 MCL1 (0.52) ALOX15CA2MAPTALOX12KMT2A
SCHEMBL28287220 0.72 ALOX15 (0.50) ALOX15ALDH1A1ALOX12KMT2AMEN1
SCHEMBL21224393 0.72 ALDH1A1 (0.46) CA2CA5AALDH1A1MAPTPOLB

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 7 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-20070054912-A1 Modulators of acetylcholine receptors ASTLES PETER C 2007-03-08 US disclosed
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 ALOX15 2589/4885CA2 2172/4885CA5A 2694/4885
US-20070054912-A1 Modulators of acetylcholine receptors CHRM3, CHRNG, CHRM5 ALOX15 2586/4885CA2 1951/4885CA5A 915/4885

“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.