SCHEMBL6714723

SCHEMBL6714723

COC(=O)c1cccc(-c2cccc(N)n2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA5 P31644 1/20 0.52
GABRA3 P34903 1/20 0.52
CDK8 P49336 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
MAPT P10636 1/20 0.50
ASIC3 Q9UHC3 1/20 0.50
SDHB P21912 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
PLAU P00749 2/20 0.48
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
SRC P12931 1/20 0.48
ERN1 O75460 1/20 0.48

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
SCHEMBL28928896 0.86 ASIC3 (0.51) CA12CA1CA2CA9NPC1
SCHEMBL4895475 0.84 GABRG2 (0.66) CA12CA1CA2CA9GABRG2
SCHEMBL28664347 0.84 ASIC3 (0.46) CA12CA1CA2CA9GABRG2
SCHEMBL13680584 0.83 GABRG2 (0.53) CA12CA1CA2CA9GABRG2
SCHEMBL31224789 0.82 CA12 (0.50) CA12CA1CA2CA9GABRG2
SCHEMBL6718372 0.82 CNR1 (0.56) CA12CA1CA2CA9GABRG2
SCHEMBL30107993 0.82 CDK8 (0.54) CA12CA1CA2CA9GABRG2
SCHEMBL5564786 0.81 ROCK1 (0.63) CA12CA1CA2CA9GABRG2
SCHEMBL14890486 0.81 GABRG2 (0.54) CA12CA1CA2CA9GABRG2
SCHEMBL28650475 0.80 IL2 (0.48) CA12CA1CA2CA9NPC1

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-8012999-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-06 US disclosed
US-20100227888-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-09-09 US disclosed
US-7754739-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-07-13 US disclosed
US-20080286204-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2008-11-20 US disclosed
US-20040006141-A1 Amidocarboxylic acid compounds SANKYO COMPANY, LTD (JP) 2004-01-08 US disclosed
US-6528525-B1 Amidocarboxylic acid derivatives SANKYO COMPANY, LIMITED (JP) 2003-03-04 US disclosed
EP-1026149-A1 AMIDOCARBOXYLIC ACID DERIVATIVES Sankyo Company Limited (JP) 2000-08-09 EP 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 (3 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-20100227888-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CA12 4539/4885CA1 4884/4885CA2 2222/4885
US-20040006141-A1 Amidocarboxylic acid compounds NR1H2, AGK, APOL1 CA12 3105/4885CA1 3246/4885CA2 2273/4885
US-20080286204-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CA12 4614/4885CA1 4885/4885CA2 2322/4885

“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.