SCHEMBL265578

SCHEMBL265578

O=C(O)C(=O)c1cccnc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.69
APP P05067 1/20 0.69
GAA P10253 1/20 0.69
HCAR3 P49019 1/20 0.69
HCAR2 Q8TDS4 1/20 0.69
F7 P08709 1/20 0.61
F3 P13726 1/20 0.61
SARM1 Q6SZW1 1/20 0.61
SIRT2 Q8IXJ6 1/20 0.61
SIRT6 Q8N6T7 1/20 0.61
SIRT1 Q96EB6 1/20 0.61
SIRT3 Q9NTG7 1/20 0.61
SIRT5 Q9NXA8 1/20 0.61
SIRT4 Q9Y6E7 1/20 0.61
PLOD2 O00469 1/20 0.58
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
LMNA P02545 3/20 0.52
THRB P10828 1/20 0.52
HIF1A Q16665 1/20 0.52

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
Hydrochloric Acid SCHEMBL27972556 0.98 ALDH1A1 (0.67) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2784997 0.89 ALDH1A1 (0.71) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL3259196 0.87 ALDH1A1 (0.69) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL10860350 0.84 ALDH1A1 (0.65) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL6222092 0.84 ALDH1A1 (0.60) ALDH1A1APPGAAHCAR3HCAR2
SCHEMBL2690817 0.83 ALDH1A1 (0.63) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL10727799 0.83 ALDH1A1 (0.91) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL1433 0.82
Niacin SCHEMBL3081560 0.82 ALDH1A1 (1.00) ALDH1A1APPGAAHCAR3HCAR2
Niacin SCHEMBL30844065 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10245330-B2 Compositions and methods for imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-04-02 US disclosed
US-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-19 US disclosed
US-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-10-19 US disclosed
US-9085589-B2 Cephem derivative SHIONOGI & CO., LTD. (JP) 2015-07-21 US disclosed
US-9085589-B2 Cephem derivative SHIONOGI & CO., LTD. (JP) 2015-07-21 US disclosed
US-20130209360-A1 Compositions and Methods for Imaging THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-08-15 US disclosed
US-20130096299-A1 NOVEL CEPHEM DERIVATIVE SHIONOGI & CO., LTD. (JP) 2013-04-18 US disclosed
US-8133909-B2 Heteroaromatic monoamides as orexinin receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-03-13 US disclosed
CN-102066325-A Heteroaromatic monoamides as orexin receptor antagonists HOFFMANN LA ROCHE 2011-05-18 CN disclosed
EP-2297102-A1 HETEROAROMATIC MONOAMIDES AS OREXININ RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2011-03-23 EP disclosed
CN-101223162-A Indolylmaleimide derivatives NOVARTIS AG (CH) 2008-07-16 CN disclosed
WO-2008077646-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-07-03 WO disclosed
EP-1204657-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2002-05-15 EP disclosed
WO-2001012622-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES DISPLAYING NEURONAL ACTIVITY SCHERING AKTIENGESELLSCHAFT (DE) 2001-02-22 WO disclosed
EP-0173497-B1 TETRACYCLIC SPIRO-HYDANTOIN ALDOSE REDUCTASE INHIBITORS PFIZER INC. (US) 1989-09-06 EP disclosed
US-4656169-A ENZYME INHIBITORS PFIZER INC. (US) 1987-04-07 US disclosed
EP-0173497-A1 Tetracyclic spiro-hydantoin aldose reductase inhibitors PFIZER INC. (US) 1986-03-05 EP disclosed
WO-1986001107-A1 TETRACYCLIC SPIRO-HYDANTOIN ALDOSE REDUCTASE INHIBITORS, COMPOSITIONS AND METHODS OF MAKING PFIZER INC. (US) 1986-02-27 WO disclosed
US-4204044-A SELECTIVE ASYMMETRIC, ENZYMATIC DEHYDROGENATIKN USING STREPTOMYCES, PSEUDOMONAS, BACILLUS OR CORYNEFORM MICROORGANISMS HOFFMANN-LA ROCHE INC. (US) 1980-05-20 US disclosed
EP-0000560-A1 Process for the preparation of optically active alpha-hydroxycarboxylic acids F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1979-02-07 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 (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-10245330-B2 Compositions and methods for imaging GPX4, PRDX5, PRDX2 ALDH1A1 2355/4885APP 1744/4885GAA 2239/4885
US-20170296681-A1 COMPOSITIONS AND METHODS FOR IMAGING GPX4, PRDX5, PRDX2 ALDH1A1 2355/4885APP 1744/4885GAA 2239/4885
US-20130209360-A1 Compositions and Methods for Imaging GPX4, PRDX5, PRDX2 ALDH1A1 2355/4885APP 1744/4885GAA 2239/4885
US-20130096299-A1 NOVEL CEPHEM DERIVATIVE LBR, UBE2D3, MRPL21 ALDH1A1 823/4885APP 4182/4885GAA 1362/4885

“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.