SCHEMBL2116504

SCHEMBL2116504

CCC(C)OP(=O)(O)C=Cc1ccc2cccc(O)c2n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 15/20 0.47
NPC1 O15118 15/20 0.47
KMT2A Q03164 15/20 0.47
RAB9A P51151 12/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
AGTR1 P30556 6/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
CD74 P04233 1/20 0.45
MIF P14174 1/20 0.45
ATM Q13315 1/20 0.45
HSP90AA1 P07900 3/20 0.45
ECE2 P0DPD6 2/20 0.45
POLB P06746 2/20 0.44
OPRK1 P41145 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44

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
SCHEMBL2116634 0.85 NPC1 (0.34) MEN1NPC1KMT2ARAB9ACASP3
SCHEMBL2116501 0.78 MEN1 (0.54) MEN1NPC1KMT2ARAB9ACASP3
SCHEMBL2116503 0.78 MEN1 (0.54) MEN1NPC1KMT2ARAB9ACASP3
SCHEMBL2118470 0.77 FDPS (0.35) MEN1NPC1KMT2ARAB9ACASP3
SCHEMBL2117450 0.75 KMT2A (0.37) MEN1NPC1KMT2ARAB9AKDM4E
SCHEMBL2117083 0.74 DHODH (0.34) MEN1KMT2AKDM4EMAPTHTT
SCHEMBL6254433 0.68 ABL1 (0.41) MEN1NPC1KMT2ARAB9AKDM4E
SCHEMBL8922938 0.67 CYP19A1 (0.36) MEN1NPC1KMT2ARAB9AKDM4E
SCHEMBL16107255 0.67 KMT2A (0.61) MEN1NPC1KMT2ARAB9AAGTR1
SCHEMBL12281289 0.66 CD74 (0.72) MEN1NPC1KMT2ARAB9ACASP3

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 MEN1 491/4885NPC1 236/4885KMT2A 3963/4885

“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.