SCHEMBL147492

SCHEMBL147492

C=CCN(CC=C)CC[O]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 5/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
OPRK1 P41145 2/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
SLC6A2 P23975 1/20 0.32
HTR1D P28221 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR1E P28566 1/20 0.32
SLC6A4 P31645 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL4352034 0.83 ALDH1A1 (0.34) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11319869 0.81 KDM4E (0.33) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL127488 0.81 TSHR (0.38) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11029404 0.79 KDM4E (0.33) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL9501246 0.78 OPRK1 (0.36) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL6528243 0.78 OPRK1 (0.38) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL213436 0.75 ALDH1A1 (0.35) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL2699253 0.75 ALDH1A1 (0.35) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL7549527 0.73 TSHR (0.43) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL20656 0.73 TSHR (0.43) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1

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 122 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1730148-A4 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LAB (US) 2009-08-19 EP claimed
EP-1730148-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS Abbott Laboratories (US) 2006-12-13 EP claimed
US-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABBOTT LABORATORIES 2006-02-02 US claimed
WO-2005074603-A2 AMINOBENZOXAZOLES AS THERAPEUTIC AGENTS ABBOTT LABORATORIES (US) 2005-08-18 WO claimed
EP-1244679-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2002-10-02 EP claimed
US-20020068721-A1 Purine derivatives ARIAD PHARMACEUTICALS, INC. 2002-06-06 US claimed
WO-2001044259-A1 PURINE DERIVATIVES ARIAD PHARMACEUTICALS, INC. (US) 2001-06-21 WO claimed
EP-0979228-A4 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORP (US) 2000-05-03 EP claimed
EP-0979228-A1 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP claimed
US-5948777-A ANTIINFLAMMATORY AGENT SMITHKLINE BEECHAM CORPORATION (US) 1999-09-07 US claimed
WO-1998041519-A1 NOVEL CANNABINOID RECEPTOR AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-09-24 WO claimed
EP-0644197-B1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors VERTEX PHARMA (US) 1998-09-09 EP claimed
US-5677283-A α-heteroaryloxymethyl ketones as interleukin - 1 β converting enzyme inhibitors SANOFI (FR) 1997-10-14 US claimed
EP-0644198-A1 Alpha-heteroaryloxymethyl ketones as interleukin-1beta converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP claimed
EP-0644197-A1 Peptidic phosphinyloxymethyl ketones as interleukin-1beta-converting enzyme inhibitors STERLING WINTHROP INC. (US) 1995-03-22 EP claimed
EP-0121171-B1 FUNGICIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE BAYER AG (DE) 1989-05-10 EP claimed
EP-0187705-A2 Imidazo(4,5-f)quinolines useful as immunomodulating agents Norwich Eaton Pharmaceuticals, Inc. (US) 1986-07-16 EP claimed
EP-0121171-A2 Fungicides, process for their preparation and their use BAYER AG (DE) 1984-10-10 EP claimed
EP-0105166-A1 Substituted tert. butanol derivatives, method for their preparation and antimycotic agents containing them BAYER AG (DE) 1984-04-11 EP claimed
US-4442119-A Cyclopropyl analogs as estrogenic and anti-fertility agents THE BOARD OF REGENTS FOR THE UNIVERSITY OF OKLAHOMA (US) 1984-04-10 US claimed

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-20060025383-A1 Aminobenzoxazoles as therapeutic agents ABL1, MAP3K19, MAP3K20 KDM4E 403/4885KMT2A 261/4885MEN1 2995/4885
US-20020068721-A1 Purine derivatives HPRT1, PNP, TYMP KDM4E 3459/4885KMT2A 3294/4885MEN1 2628/4885

“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.