SCHEMBL1041386

SCHEMBL1041386

[O-][n+]1cccc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.61
CYP3A4 P08684 1/20 0.51
MAOB P27338 7/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAOA P21397 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA7 P43166 1/20 0.46
MTNR1A P48039 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RAB9A P51151 3/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL3371655 0.88 ALOX5 (0.61) ALOX5CYP3A4MAOBNPC1MEN1
SCHEMBL23412853 0.83 KDM4E (0.49) ALOX5NPC1RAB9AHRH3MAPT
SCHEMBL28191785 0.80 AGXT (0.36) ALOX5MAOBNPC1RAB9AMAPT
SCHEMBL28020295 0.80 NPC1 (0.37) ALOX5MAOBNPC1MEN1KMT2A
SCHEMBL51460 0.77 ALOX5 (1.00) ALOX5CYP3A4MAOBNPC1MEN1
SCHEMBL28662350 0.76 ALOX5 (0.89) ALOX5CYP3A4MAOBNPC1MEN1
SCHEMBL23412203 0.75 KDM4E (0.57) NPC1RAB9AHRH3MAPTSMN1; SMN2
SCHEMBL6999744 0.75 ALOX5 (0.68) ALOX5CYP3A4MAOBNPC1MEN1
SCHEMBL8984340 0.73 ALOX5 (0.92) ALOX5CYP3A4MAOBNPC1MEN1
Methyl Alcohol SCHEMBL29235268 0.73 ALOX5 (0.89) ALOX5CYP3A4MAOBNPC1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed
EP-2270006-A1 Pyridazine derivatives useful as vanilloid receptor ligands Amgen, Inc (US) 2011-01-05 EP disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7332511-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2008-02-19 US disclosed
US-7148221-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-12 US disclosed
US-7144888-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2006-12-05 US disclosed
EP-1717220-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-11-02 EP disclosed
EP-1688408-A2 Vanilloid receptor ligands and their use in treatments Amgen, Inc (US) 2006-08-09 EP disclosed
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-15 US disclosed
US-20050272777-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-08 US disclosed
CN-1694873-A Vanilloid receptor ligands and their use in treatments AMGEN INC (US) 2005-11-09 CN disclosed
EP-1546116-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS Amgen Inc. (US) 2005-06-29 EP disclosed
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2004-04-29 US disclosed
WO-2004014871-A1 VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS AMGEN INC. (US) 2004-02-19 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 (3 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-20050272777-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ALOX5 839/4885CYP3A4 1962/4885MAOB 1213/4885
US-20050277631-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ALOX5 839/4885CYP3A4 1962/4885MAOB 1213/4885
US-20040082780-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ALOX5 854/4885CYP3A4 2078/4885MAOB 1137/4885

“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.