SCHEMBL930342

SCHEMBL930342

CCC(N)(CC)COc1cc[c]cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.33
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 3/20 0.32
CA1 P00915 3/20 0.32
CA2 P00918 3/20 0.32
CA7 P43166 3/20 0.32
CA9 Q16790 3/20 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
SCHEMBL11827223 0.85 NQO1 (0.31) NQO1TSHRTDP1
SCHEMBL292906 0.75 XDH (0.36) NQO1
SCHEMBL17134252 0.72 ACACB (0.32) NQO1
SCHEMBL22683407 0.72 BRD4 (0.35) NQO1
SCHEMBL21151 0.72
SCHEMBL122993 0.72 LTA4H (0.53)
SCHEMBL10971435 0.72 APP (0.53) CA12CA1CA2CA7CA9
SCHEMBL3023792 0.71
SCHEMBL693618 0.71 MAPT (0.47)
SCHEMBL17103300 0.71 NQO1 (0.30) NQO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7868018-B2 such as N [3-(2-(3-trifluoromethyl)-benzoylamino -[1,6]naphthyridin-3-yl)-2,4-dichloro-phenyl]-3-trifluoromethyl-benzamide, used as antiproliferative agents or for the treatment of autoimmune diseases and nervous system disorders IRM LLC (BM) 2011-01-11 US claimed
EP-2099797-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2009-09-16 EP claimed
US-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-12-04 US claimed
WO-2007021795-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO claimed
US-7868018-B2 such as N [3-(2-(3-trifluoromethyl)-benzoylamino -[1,6]naphthyridin-3-yl)-2,4-dichloro-phenyl]-3-trifluoromethyl-benzamide, used as antiproliferative agents or for the treatment of autoimmune diseases and nervous system disorders IRM LLC (BM) 2011-01-11 US disclosed
EP-2099797-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2009-09-16 EP disclosed
US-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-12-04 US disclosed
WO-2007021795-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 WO disclosed
US-4213994-A Imidazolyl-(2)-carbinols having hypolipidemic action and process for preparing them HOECHST AKTIENGESELLSCHAFT (DE) 1980-07-22 US 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-20080300246-A1 Compounds and Compositions as Protein Kinase Inhibitors SGK2, BRSK2, FYN NQO1 3998/4885TSHR 2320/4885TDP1 2094/4885

“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.