SCHEMBL58390

SCHEMBL58390

[CH2]OCCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
IDO1 P14902 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
TDP1 Q9NUW8 3/20 0.46
CYP2A6 P11509 1/20 0.46
HTR2A P28223 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43
HCAR2 Q8TDS4 1/20 0.42

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
SCHEMBL2097764 0.85 IDO1 (0.61) IDO1NPC1RAB9AHTR2ASMN1; SMN2
SCHEMBL2096240 0.83 IDO1 (0.54) IDO1L3MBTL1MAOAMAOBFFAR1
SCHEMBL2090875 0.81 SIGMAR1 (0.52) IDO1TDP1L3MBTL1MAOAMAOB
SCHEMBL8496073 0.81 SIGMAR1 (0.52) IDO1TDP1L3MBTL1MAOAMAOB
SCHEMBL8500350 0.81 SIGMAR1 (0.52) IDO1TDP1L3MBTL1MAOAMAOB
SCHEMBL8499736 0.81 SIGMAR1 (0.52) IDO1TDP1L3MBTL1MAOAMAOB
SCHEMBL8499491 0.81 SIGMAR1 (0.52) IDO1TDP1L3MBTL1MAOAMAOB
SCHEMBL8496473 0.81 SIGMAR1 (0.52) IDO1TDP1L3MBTL1MAOAMAOB
SCHEMBL8499227 0.81 SIGMAR1 (0.52) IDO1TDP1L3MBTL1MAOAMAOB
SCHEMBL8873030 0.81 CA1 (0.42) CA1CA2CA9IDO1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520570-A1 AMINOPYRIDINE COMPOUND Ube Industries, Ltd. (JP) 2012-11-07 EP claimed
US-20120259123-A1 AMINOPYRIDINE COMPOUND UBE INDUSTRIES, LTD. (JP) 2012-10-11 US claimed
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC 2008-09-11 US claimed
US-7368571-B2 HIV-Integrase inhibitors, pharmaceutical compositions and methods for their use PFIZER INC (US) 2008-05-06 US claimed
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE AGOURON PHARMACEUTICALS, INC. 2007-01-04 US claimed
CN-1238364-C Erythromycin derivatives, their preparation and their use as medicaments AVENTIS MEDICINE S A (FR) 2006-01-25 CN claimed
EP-1558611-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2005-08-03 EP claimed
EP-1528059-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle LLC (US) 2005-05-04 EP claimed
US-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use AGOURON PHARMACEUTICALS, INC. 2004-07-29 US claimed
WO-2004039803-A2 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE PFIZER INC. (US) 2004-05-13 WO claimed
EP-1223167-A2 Substituted isoxazoles for the treatment of inflammation G.D. Searle & Co. (US) 2002-07-17 EP claimed
US-5985902-A TREATING INFLAMMATION AND INFLAMMATION-ASSOCIATED DISORDERS, SUCH AS ARTHRITIS G.D. SEARLE & CO. (US) 1999-11-16 US claimed
US-5859257-A ANTIINFLAMMATORY, ANTIARTHRITIC AGENTS G. D. SEARLE & CO. (US) 1999-01-12 US claimed
EP-0555182-B1 Process for dyeing of natural or synthetic polyamide fibers CIBA GEIGY AG (CH) 1998-03-04 EP claimed
EP-0809636-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-12-03 EP claimed
US-5633272-A Substituted isoxazoles for the treatment of inflammation PHARMACIA & UPJOHN COMPANY LLC 1997-05-27 US claimed
WO-1996025405-A1 SUBSTITUTED ISOXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-22 WO claimed
CN-112512529-B Cyclopentenepurine derivative or salt thereof 富士胶片株式会社 2024-06-18 CN disclosed
US-4536596-A FORMS WATER INSOLUBLE LIQUID AMERICAN CYANAMID COMPANY (US) 1985-08-20 US disclosed
US-4332614-A HALOACETANILIDE ETHERS MONSANTO COMPANY (US) 1982-06-01 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 (4 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-20040147547-A1 HIV-integrase inhibitors, pharmaceutical compositions, and methods for their use IMPDH1, POLA1, POLB CA1 2841/4885CA2 2086/4885CA9 2131/4885
US-20070004768-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB CA1 3129/4885CA2 1907/4885CA9 1887/4885
US-20120259123-A1 AMINOPYRIDINE COMPOUND PTGIS, QDPR, PTGIR CA1 3171/4885CA2 48/4885CA9 622/4885
US-20080221154-A1 HIV-INTEGRASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS FOR THEIR USE TYMP, IMPDH1, POLB CA1 3260/4885CA2 2180/4885CA9 2236/4885

“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.