SCHEMBL4482497

SCHEMBL4482497

O=c1cc(-c2ccccc2)cc2n1CCN2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.44
PARP1 P09874 4/20 0.43
GLO1 Q04760 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
ADORA3 P0DMS8 1/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 2/20 0.36
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL4489458 0.90 L3MBTL1 (0.42) HSP90AA1PARP1GLO1L3MBTL1KDM4E
SCHEMBL11364786 0.89 ALDH1A1 (0.43) HSP90AA1PARP1GLO1L3MBTL1KDM4E
SCHEMBL11366454 0.80 PARP1 (0.47) PARP1KDM4EALDH1A1HSD17B10MEN1
SCHEMBL11365725 0.72 CYBB (0.39) PARP1L3MBTL1KDM4EALDH1A1HSD17B10
SCHEMBL29061384 0.71 CHRNB2 (0.40) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL11361751 0.69 ADORA3 (0.48) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11368051 0.67 HSP90AA1 (0.41) HSP90AA1GLO1L3MBTL1MAPTTYRO3
SCHEMBL11361721 0.67 GLO1 (0.41) HSP90AA1GLO1L3MBTL1KDM4EALDH1A1
SCHEMBL9361934 0.67 KDM4E (0.53) PARP1L3MBTL1KDM4EALDH1A1HPGD
SCHEMBL11361156 0.67 FAAH (0.42) HSP90AA1GLO1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4186200-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-01-29 US claimed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
US-7504403-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2009-03-17 US disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2008-04-23 EP disclosed
EP-1716150-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-11-02 EP disclosed
US-20050187223-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-08-25 US disclosed
WO-2005070932-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2005-08-04 WO disclosed
US-4288438-A Nitrogen-containing heterocyclic ring derivatives and analgesic and anti-inflammatory compositions and methods employing them YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 US disclosed
US-4284778-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4251533-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1981-02-17 US disclosed
US-4186200-A ANALGESICS, ANTIINFLAMMATORY AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-01-29 US 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-20050187223-A1 Substituted heterocyclic compounds and methods of use MYLK2, MUSK, MAPT HSP90AA1 1475/4885PARP1 696/4885GLO1 4291/4885

“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.