SCHEMBL4698816

SCHEMBL4698816

S=c1[nH]c2cc3ccccc3cc2o1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.61
▸ GAA P10253 2/20 0.61
▸ MEN1 O00255 2/20 0.61
▸ MAPT P10636 2/20 0.61
▸ KMT2A Q03164 2/20 0.61
▸ PSMB8 P28062 12/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ GRIN2D O15399 1/20 0.42
▸ GRIN3B O60391 1/20 0.42
▸ GRIN1 Q05586 1/20 0.42
▸ GRIN2A Q12879 1/20 0.42
▸ GRIN2B Q13224 1/20 0.42
▸ GRIN2C Q14957 1/20 0.42
▸ GRIN3A Q8TCU5 1/20 0.42
▸ PDE3B Q13370 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ HTT P42858 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39

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
SCHEMBL25992588 0.76 OGT (0.59) KDM4EMEN1MAPTKMT2AALDH1A1
SCHEMBL29747565 0.76 KDM4E (1.00) KDM4EGAAMEN1MAPTKMT2A
SCHEMBL4699050 0.76 KDM4E (1.00) KDM4EGAAMEN1MAPTKMT2A
SCHEMBL4703352 0.76 KDM4E (0.75) KDM4EGAAMEN1MAPTKMT2A
SCHEMBL12716526 0.75 KDM4E (0.82) KDM4EGAAMEN1MAPTKMT2A
SCHEMBL7565625 0.74 ALDH1A1 (0.47) KDM4EGAAMEN1MAPTKMT2A
SCHEMBL30834681 0.74 PSMB8 (1.00) KDM4EGAAMEN1MAPTKMT2A
SCHEMBL97140 0.74 PSMB8 (1.00) KDM4EGAAMEN1MAPTKMT2A
Benzo[D]Isoxazole SCHEMBL27740685 0.71 PSMB8 (0.66) KDM4EGAAMEN1MAPTKMT2A
SCHEMBL10897160 0.69 PSMB8 (0.63) KDM4EGAAMEN1MAPTKMT2A

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
US-7439236-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC (US) 2008-10-21 — — US disclosed
EP-1219622-B1 Pharmaceutical compositions for CNS and other disorders PFIZER PROD INC (US) 2008-06-18 — — EP disclosed
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS PFIZER INC 2007-05-03 — — US disclosed
US-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2005-08-11 — — US disclosed
US-6881734-B2 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. (US) 2005-04-19 — — US disclosed
US-6809094-B2 N-FUSED HETERCYCLO-1,4- OR -1,5- DIAZABICYCLO DERIVATIVES; NICOTINIC RECEPTOR AGONISTS; CENTRAL NERVOUS SYSTEM (CNS) PFIZER INC 2004-10-26 — — US disclosed
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC 2004-10-14 — — US disclosed
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders PFIZER INC. 2003-06-26 — — US disclosed
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders O'NEILL BRIAN THOMAS (US) 2002-07-04 — — US disclosed
EP-1219622-A2 Pharmaceutical compositions for CNS and other disorders Pfizer Products Inc. (US) 2002-07-03 — — 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 (5 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-20050176720-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA10, CHRNA5 KDM4E 4027/4885GAA 491/4885MEN1 1569/4885
US-20030119837-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KDM4E 4365/4885GAA 676/4885MEN1 1195/4885
US-20020086871-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KDM4E 4365/4885GAA 676/4885MEN1 1195/4885
US-20070099904-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF CNS AND OTHER DISORDERS C1QBP, BCHE, BDNF KDM4E 1393/4885GAA 1255/4885MEN1 2027/4885
US-20040204416-A1 Pharmaceutical composition for the treatment of CNS and other disorders CHRNA7, CHRNA5, CHRNA10 KDM4E 4365/4885GAA 676/4885MEN1 1195/4885

“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.

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