SCHEMBL2116388

SCHEMBL2116388

O=c1ccc2cccc(-c3cccc4ccccc34)c2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.53
CA9 Q16790 4/20 0.53
KDM4E B2RXH2 2/20 0.49
ALPL P05186 1/20 0.49
GAA P10253 1/20 0.49
CA1 P00915 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
TYMP P19971 1/20 0.44
PTPN1 P18031 1/20 0.41
MCL1 Q07820 1/20 0.41
PIM1 P11309 1/20 0.41
DNMT1 P26358 1/20 0.41
HCAR1 Q9BXC0 1/20 0.40

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
SCHEMBL2115904 0.85 KDM4E (0.50) CA12CA9KDM4EALPLGAA
SCHEMBL2117668 0.84 KDM4E (0.45) CA12CA9KDM4EALPLGAA
SCHEMBL29871305 0.83 CA12 (0.57) CA12CA9KDM4ECA1CA3
SCHEMBL237720 0.83 CA12 (0.57) CA12CA9KDM4ECA1CA3
SCHEMBL30804611 0.81 CA12 (0.55) CA12CA9KDM4ECA1CA3
Hydrochloric Acid SCHEMBL31179088 0.81 CA12 (0.55) CA12CA9KDM4ECA1CA3
SCHEMBL2118057 0.80 TSHR (0.46) KDM4EALPLGAAALDH1A1HTT
SCHEMBL10749595 0.79 CA12 (0.53) CA12CA9KDM4ECA1CA3
Azetidine SCHEMBL29152261 0.75 CA12 (0.53) CA12CA9KDM4ECA1CA3
SCHEMBL9537201 0.74 KDM4E (0.61) CA12CA9KDM4EALPLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 US disclosed
EP-2250152-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE Novartis AG (CH) 2010-11-17 EP disclosed
WO-2009106586-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2009-09-03 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 CA12 4845/4885CA9 4491/4885KDM4E 2805/4885

“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.