SCHEMBL2115446

SCHEMBL2115446

OCc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.55
NOTUM Q6P988 1/20 0.41
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2A6 P11509 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
NISCH Q9Y2I1 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
Hydrochloric Acid SCHEMBL2118473 0.82 KCNQ3 (0.38) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL2118355 0.80 PGK1 (0.51) CA2HDAC8HDAC6PARP1
SCHEMBL2116647 0.78 ACP3 (0.41) CA2HDAC8HDAC6PARP1
SCHEMBL2116447 0.75 FNTA (0.39) CA2HDAC8HDAC6FNTAFNTB
SCHEMBL2116332 0.74 PIM1 (0.44) ALDH1A1TSHRHSD17B10CYP2A6TDP1
SCHEMBL13689579 0.74 NCF1 (0.52) PARP1ALDH1A1TSHRHSD17B10HPGD
SCHEMBL2116625 0.74 METAP2 (0.52) CCR1PARP1ALDH1A1TSHRCYP2A6
Ethylene Glycol SCHEMBL8070318 0.73 CYP1A2 (0.48) CA1CA2CA9HDAC8HDAC6
SCHEMBL5301328 0.73 CCR1 (1.00) CCR1NOTUMPARP1TSHRTDP1
SCHEMBL9220073 0.73 CCR1 (0.65) CCR1HDAC8ALDH1A1TSHRHSD17B10

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 CCR1 4793/4885NOTUM 737/4885CA1 4827/4885

“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.