SCHEMBL2118840

SCHEMBL2118840

COc1ccc(-c2cc(-c3cccc4ccccc34)c3nc(P(=O)(O)O)ccc3c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.40
HSD17B1 P14061 2/20 0.39
HSD17B2 P37059 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
PIK3CA P42336 1/20 0.36
HDAC1 Q13547 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CYP2B6 P20813 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 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
SCHEMBL2118425 0.87 FDPS (0.38) ERN1HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL2118431 0.86 GRM2 (0.35) ERN1HSD17B1HSD17B2CYP1A2CYP3A4
SCHEMBL2116847 0.86 KDM4E (0.34) ERN1CYP1A2CYP2C19L3MBTL1SLC6A9
SCHEMBL2117329 0.83 CYP1A2 (0.40) HSD17B1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL2117676 0.78 HSD17B1 (0.43) HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9
SCHEMBL2143529 0.76 MAOA (0.40) CYP1A2L3MBTL1KDM4ENPC1ALDH1A1
SCHEMBL5820464 0.75 HSD17B1 (0.51) HSD17B1HSD17B2CYP1A2CYP3A4CYP2C9
SCHEMBL2116835 0.74 PIM1 (0.34) PDGFRBKDM4EALDH1A1GAAMAPT
SCHEMBL2116012 0.74 PIM1 (0.39) CYP1A2CYP3A4CYP2C19L3MBTL1CYP2D6
SCHEMBL2122445 0.74 ACP3 (0.39) L3MBTL1KDM4EALDH1A1GAAMAPT

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 2 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 claimed
US-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE NOVARTIS AG (CH) 2012-04-19 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-20120094958-A1 QUINOLINES AS INHIBITORS OF FARNESYL PYROPHOSPHATE SYNTHASE FDPS, GGPS1, CTPS1 ERN1 1946/4885HSD17B1 504/4885HSD17B2 1038/4885

“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.