SCHEMBL2544522

SCHEMBL2544522

c1ccc2c(OCc3nccn3C3CCCO3)cccc2c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NISCH Q9Y2I1 1/20 0.41
METAP2 P50579 3/20 0.41
MAPT P10636 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIRT2 Q8IXJ6 2/20 0.39
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
PDK1 Q15118 1/20 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
SCHEMBL7906944 0.81 VCP (0.41) ALDH1A1HPGDSMN1; SMN2MEN1NPC1
SCHEMBL3981433 0.76 LMNA (0.44) ALDH1A1MAPTHPGDSMN1; SMN2TDP1
SCHEMBL7904174 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL1333153 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL3980796 0.70 ALDH1A1 (0.39) ALDH1A1KDM4EMAPTHPGDSMN1; SMN2
SCHEMBL19949182 0.68 CYP2C19 (0.39) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL13469345 0.68 CYP2C19 (0.42) ALDH1A1KDM4EMAPTSMN1; SMN2MEN1
SCHEMBL1331993 0.64 METAP2 (0.57) ALDH1A1KDM4ENISCHMETAP2MAPT
SCHEMBL1333118 0.63 KDM4E (0.40) ALDH1A1KDM4ENISCHMETAP2MAPT
SCHEMBL1485370 0.63 CYP2C19 (0.38) ALDH1A1KDM4ESMN1; SMN2MEN1NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP disclosed
EP-2379558-B1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2016-03-23 EP disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
EP-2379558-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS Merck Patent GmbH (DE) 2011-10-26 EP disclosed
WO-2010083870-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-07-29 WO disclosed
WO-2010083870-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-07-29 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 ALDH1A1 1917/4885KDM4E 1825/4885NISCH 2959/4885

“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.