SCHEMBL5311679

SCHEMBL5311679

C(=C/N1CCCCC1)\c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.49
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAOB P27338 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 2/20 0.43
ABL1 P00519 1/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.43
TRPA1 O75762 1/20 0.43
ALOX5 P09917 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PARP1 P09874 1/20 0.42
LTA4H P09960 2/20 0.42
HDAC3 O15379 1/20 0.41

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
SCHEMBL31547213 1.00 HSP90AA1 (0.49) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL3731571 1.00 HSP90AA1 (0.49) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6516804 0.98 KMT2A (0.48) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL6516806 0.98 KMT2A (0.48) HSP90AA1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL28546334 0.88 MAOB (0.50) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL5572239 0.88 MAOB (0.50) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL31547242 0.81 RAB9A (0.43) SMN1; SMN2NPC1RAB9AHPGDALDH1A1
SCHEMBL16825154 0.79 NFE2L2 (0.57) MAPTSMN1; SMN2NPC1RAB9AMAOB
SCHEMBL13041010 0.78 SIGMAR1 (0.58) KMT2AMEN1MAPTSMN1; SMN2NPC1
SCHEMBL22230801 0.78 GPR183 (0.43) SMN1; SMN2NPC1RAB9AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935292-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-04-10 EP disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
US-20150333280-A1 Metal Complexes MERCK PATENT GMBH (DE) 2015-11-19 US disclosed
WO-2014094961-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2014-06-26 WO disclosed
WO-2012150829-A2 NOBLE TRIAZOLOPYRIDINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PRODUCTION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION INCLUDING SAME 제일약품주식회사 (KR) 2012-11-08 WO disclosed
EP-0799823-B1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses DAIICHI SANKYO CO LTD (JP) 2007-10-31 EP disclosed
US-RE39420-E1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2006-12-05 US disclosed
WO-2005077885-A1 RUTHENIUM-CATALYZED HYDROAMINATION OF OLEFINS YALE UNIVERSITY (US) 2005-08-25 WO disclosed
US-5908858-A OSTEOPOROSIS; LEUKOTRIENE INHIBITOR SANKYO COMPANY, LIMITED (JP) 1999-06-01 US disclosed
EP-0799823-A1 1,2-Diphenylpyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY LIMITED (JP) 1997-10-08 EP 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-20150333280-A1 Metal Complexes SOD1, AP1M1, AP3M1 HSP90AA1 4261/4885KMT2A 2922/4885MEN1 989/4885

“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.