SCHEMBL2117668

SCHEMBL2117668

Nc1cc(-c2cccc3ccccc23)c2[nH]c(=O)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
ALPL P05186 1/20 0.45
GAA P10253 1/20 0.45
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
MPO P05164 1/20 0.40
HCAR1 Q9BXC0 1/20 0.39
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
PIM1 P11309 1/20 0.39
CA1 P00915 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
TYMP P19971 1/20 0.38

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
SCHEMBL2116388 0.84 CA12 (0.53) KDM4EALPLGAACA12CA9
SCHEMBL2115904 0.84 KDM4E (0.50) KDM4EALPLGAACA12CA9
SCHEMBL2118057 0.78 TSHR (0.46) KDM4EALPLGAAALDH1A1MEN1
SCHEMBL20508981 0.77 ALDH1A1 (0.46) KDM4EALPLGAACA12CA9
SCHEMBL27770093 0.75 BCHE (0.50) KDM4EALPLGAACDK4CCND1
SCHEMBL2118837 0.73 CYP1A2 (0.46) KDM4EGAAPIM1ALDH1A1HPGD
SCHEMBL237720 0.71 CA12 (0.57) KDM4ECA12CA9HCAR1CA1
SCHEMBL29871305 0.71 CA12 (0.57) KDM4ECA12CA9HCAR1CA1
SCHEMBL30804611 0.70 CA12 (0.55) KDM4ECA12CA9HCAR1CA1
Hydrochloric Acid SCHEMBL31179088 0.70 CA12 (0.55) KDM4ECA12CA9HCAR1CA1

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 KDM4E 2805/4885ALPL 3045/4885GAA 851/4885

“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.