SCHEMBL3022248

SCHEMBL3022248

Cc1ccc(N)c(Oc2ccccc2)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA7 P43166 1/20 0.44
CA13 Q8N1Q1 1/20 0.44
MAPT P10636 5/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAOA P21397 1/20 0.39
KDM4E B2RXH2 3/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
LTA4H P09960 2/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
LMNA P02545 2/20 0.35
GPR55 Q9Y2T6 2/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL14920449 0.81 CA12 (0.42) CA12CA1CA2CA7CA13
SCHEMBL3030019 0.79 RHEB (0.45) CA12CA1CA2CA7CA13
SCHEMBL3033179 0.74 KDM4E (0.44) MAPTKDM4ECRHBPCRHR2TSHR
SCHEMBL13982350 0.74 MAPT (0.37) MAPTPOLBHSP90AA1KDM4EKMT2A
SCHEMBL22199170 0.74 CA1 (0.42) CA12CA1CA2CA7CA13
SCHEMBL4761530 0.73 CTNNB1 (0.50) CA12CA1CA2CA7CA13
SCHEMBL21612705 0.73 MAOA (0.50) CA1CA2MAPTMAOALTA4H
SCHEMBL3035378 0.72 CYP3A4 (0.34) CYP3A4
SCHEMBL3032786 0.72 MEN1 (0.43) CA12CA1CA2CA7CA13
SCHEMBL7776603 0.72 LTA4H (0.52) CA12CA1CA2CA7CA13

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 CA12 3249/4885CA1 3558/4885CA2 3951/4885

“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.