SCHEMBL6285311

SCHEMBL6285311

Cc1cccc(-c2ccc[nH]2)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.42
KDR P35968 1/20 0.42
CDK2 P24941 1/20 0.38
TRPA1 O75762 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
P2RX7 Q99572 1/20 0.35
DAO P14920 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
PRKDC P78527 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL29611794 0.86 CD274 (0.39) AURKAKDRCDK2CA1CA2
SCHEMBL4602986 0.83 AURKA (0.41) AURKAKDRCDK2ALDH1A1HTT
SCHEMBL30390867 0.83 AURKA (0.41) AURKAKDRCDK2ALDH1A1HTT
SCHEMBL5851492 0.82 KDR (0.49) AURKAKDRCDK2CA1CA2
SCHEMBL28796136 0.80 IDO1 (0.45) AURKAKDRCDK2ALDH1A1HTT
SCHEMBL12666357 0.76 CDK2 (0.39) AURKAKDRCDK2CYP1A2CYP2A6
SCHEMBL15416944 0.76 CDK2 (0.47) AURKAKDRCDK2ATMALDH1A1
SCHEMBL15416821 0.74 KDR (0.47) AURKAKDRCDK2ATMDAO
SCHEMBL218508 0.74 TRPA1 (0.52) TRPA1ATMALDH1A1CA1CA2
SCHEMBL30834716 0.74 TRPA1 (0.52) TRPA1ATMALDH1A1CA1CA2

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-6967242-B2 Antimicrobial 2-deoxystreptamine compounds ISIS PHARMACEUTICALS, INC. (US) 2005-11-22 US claimed
US-6759523-B2 ANALOGS OF AMINOGLYCOSIDE COMPOUNDS OF THE CLASS HAVING A GLYCOSYLATED 2-DEOXYSTREPTAMINE RING; BINDING AFFINITY FOR THE A SITE OF BACTERIAL 16S RIBOSOMAL RNA ISIS PHARMACEUTICALS, INC. 2004-07-06 US claimed
US-20030109461-A1 Antimicrobial 2-deoxystreptamine compounds ISIS PHARMACEUTICALS, INC. 2003-06-12 US claimed
US-20020052526-A1 Antimicrobial 2-deoxystreptamine compounds ISIS PHARMACEUTICAL, INC. 2002-05-02 US claimed
WO-2001039726-A2 ANTIMICROBIAL 2-DEOXYSTREPTAMINE COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2001-06-07 WO claimed

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-20030109461-A1 Antimicrobial 2-deoxystreptamine compounds DUT, GNE, ST6GAL1 AURKA 3288/4885KDR 4037/4885CDK2 2375/4885
US-20020052526-A1 Antimicrobial 2-deoxystreptamine compounds DUT, GNE, ST6GAL1 AURKA 3288/4885KDR 4037/4885CDK2 2375/4885

“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.