SCHEMBL1333153

SCHEMBL1333153

OCc1nccn1C1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
CYP2C9 P11712 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
APEX1 P27695 1/20 0.40
PI4KA P42356 1/20 0.40
BLM P54132 1/20 0.40
ADCY1 Q08828 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
KDM4E B2RXH2 3/20 0.38
CYP2C19 P33261 1/20 0.37
LMNA P02545 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL19949182 0.95 CYP2C19 (0.39) ALDH1A1KMT2AMEN1HSD17B10TP53
SCHEMBL7904174 0.84 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1HSD17B10TP53
Hydrochloric Acid SCHEMBL3980796 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1HSD17B10TP53
SCHEMBL13469345 0.80 CYP2C19 (0.42) ALDH1A1KMT2AMEN1HSD17B10TP53
SCHEMBL1485370 0.77 CYP2C19 (0.38) ALDH1A1KMT2AMEN1HSD17B10TP53
SCHEMBL7906944 0.76 VCP (0.41) ALDH1A1KMT2AMEN1SMN1; SMN2TSHR
SCHEMBL5657387 0.74 LMNA (0.33) LMNA
SCHEMBL1332314 0.72 KMT2A (0.42) ALDH1A1KMT2AMEN1HSD17B10TP53
SCHEMBL2544522 0.71 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4EPOLB
SCHEMBL3981433 0.71 LMNA (0.44) ALDH1A1TP53LMNASMN1; SMN2MAPT

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 16 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
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-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
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
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
US-7572921-B2 Substituted benzylimidazoles useful for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-08-11 US disclosed
EP-1869012-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-26 EP disclosed
US-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-11-09 US disclosed
WO-2006107923-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-10-12 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 (2 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-20060252811-A1 SUBSTITUTED BENZYLIMIDAZOLES USEFUL FOR THE TREATMENT OF INFLAMMATORY DISEASES IL4I1, NFKBIA, BRD4 ALDH1A1 421/4885KMT2A 2447/4885MEN1 3945/4885
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 ALDH1A1 1917/4885KMT2A 885/4885MEN1 84/4885

“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.