SCHEMBL2116332

SCHEMBL2116332

Clc1ccc2cccc(-c3cccc4ccccc34)c2n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.44
PIM2 Q9P1W9 3/20 0.44
CYP2A6 P11509 3/20 0.42
SLC40A1 Q9NP59 2/20 0.42
CYP1A2 P05177 2/20 0.42
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PTGER4 P35408 1/20 0.38
TYMP P19971 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ATM Q13315 2/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NISCH Q9Y2I1 1/20 0.38
MAPK1 P28482 2/20 0.37

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
SCHEMBL2116327 0.85 PIM1 (0.42) PIM1PIM2CYP2A6SLC40A1CYP1A2
SCHEMBL3336887 0.82 NPC1 (0.50) CYP2A6SLC40A1CYP1A2RAB9ANPC1
SCHEMBL13689579 0.81 NCF1 (0.52) PIM1ALDH1A1HSD17B10TSHRCYP3A4
SCHEMBL22970624 0.79 SLC40A1 (0.46) PIM1PIM2CYP2A6SLC40A1RAB9A
SCHEMBL23406899 0.78 ALDH1A1 (0.38) PIM1PIM2SLC40A1CYP1A2ALDH1A1
SCHEMBL31184174 0.78 ALDH1A1 (0.38) PIM1PIM2SLC40A1CYP1A2ALDH1A1
SCHEMBL2116625 0.78 METAP2 (0.52) CYP2A6SLC40A1CYP1A2RAB9AALDH1A1
SCHEMBL2116650 0.77 TDP1 (0.44) PIM1PIM2RAB9ANPC1ALDH1A1
Hydrochloric Acid SCHEMBL2118473 0.76 KCNQ3 (0.38) CYP2A6CYP1A2ALDH1A1HSD17B10TSHR
SCHEMBL22970626 0.75 GSTP1 (0.47) PIM1PIM2CYP2A6SLC40A1CYP1A2

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 4 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
CN-101959865-A Quinolines as farnesyl pyrophosphate synthase inhibitor NOVARTIS AG 2011-01-26 CN 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 PIM1 2265/4885PIM2 2437/4885CYP2A6 523/4885

“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.