SCHEMBL4444015

SCHEMBL4444015

Cc1nn(C)c(O)c1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.34
AOX1 Q06278 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
NR2F2 P24468 1/20 0.34
ATM Q13315 1/20 0.33
TRIM24 O15164 1/20 0.33

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
SCHEMBL211332 0.82 ALDH1A1 (0.55) ALDH1A1GAASMN1; SMN2L3MBTL1NPC1
SCHEMBL29956155 0.74 SMN1; SMN2 (0.42) ALDH1A1GAASMN1; SMN2L3MBTL1NPC1
SCHEMBL1357311 0.74 SMN1; SMN2 (0.42) ALDH1A1GAASMN1; SMN2L3MBTL1NPC1
SCHEMBL5961561 0.74 PKM (0.46) ALDH1A1GAASMN1; SMN2L3MBTL1NPC1
SCHEMBL766122 0.74 L3MBTL1 (0.58) ALDH1A1GAASMN1; SMN2L3MBTL1NPC1
SCHEMBL18770490 0.74 ALB (0.32) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL17501932 0.72
SCHEMBL17295098 0.71 ERN1 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL17290359 0.71 ERN1 (0.35) SMN1; SMN2CYP1A2CYP2C9CYP2C19MAPT
SCHEMBL29052280 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112409263-B Substituted benzoyl compounds and application thereof 东莞市东阳光农药研发有限公司 2024-04-05 CN disclosed
CN-110903279-B Pyrazole compound, salt and application thereof 潍坊中农联合化工有限公司 2023-05-16 CN disclosed
CN-111559965-B Substituted benzoyl compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2022-11-18 CN disclosed
CN-112409263-A Substituted benzoyl compound and application thereof 东莞市东阳光农药研发有限公司 2021-02-26 CN disclosed
CN-111670182-A Quinoline derivatives, preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-09-15 CN disclosed
CN-111559965-A Substituted benzoyl compounds and application thereof in agriculture 东莞市东阳光农药研发有限公司 2020-08-21 CN disclosed
CN-110903279-A Pyrazole compound and salt and application thereof 潍坊中农联合化工有限公司 2020-03-24 CN disclosed
US-9981901-B2 IRE-1α inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2018-05-29 US disclosed
US-20170152206-A1 IRE-1alpha INHIBITORS FOSUN ORINOVE PHARMATECH, INC. (CN) 2017-06-01 US disclosed
US-9546149-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2017-01-17 US disclosed
US-20160168116-A1 IRE-1alpha Inhibitors FOSUN ORINOVE PHARMATECH, INC. (CN) 2016-06-16 US disclosed
US-9241942-B2 IRE-1α inhibitors MANNKIND CORPORATION (US) 2016-01-26 US disclosed
US-20140080832-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2014-03-20 US disclosed
US-20110065162-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2011-03-17 US disclosed
US-7858666-B2 inositol requiring enzyme 1 (IRE-1 alpha) inhibitors such as 2-hydroxy-6-(5-(4-methylpiperazine-1-carbonyl)thiophen-2-yl)-1-naphthaldehyde, relieve protein folding stress by enhancing molecular chaperone activity and protects cells from stress induced apoptosis; autoimmune diseases; anticancer; viricides MANNKIND CORPORATION (US) 2010-12-28 US disclosed
EP-1789401-B1 ISOXAZOLINE DERIVATIVES AND THEIR USE AS HERBICIDES SYNGENTA LTD (GB) 2010-03-03 EP disclosed
EP-1426365-B9 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME MITSUI CHEMICALS AGRO INC (JP) 2009-10-21 EP disclosed
US-20090186893-A1 IRE-1alpha INHIBITORS MANNKIND CORPORATION (US) 2009-07-23 US disclosed
EP-1426365-B1 3-PHENOXY-4-PYRIDAZINOL DERIVATIVE AND HERBICIDE COMPOSITION CONTAINING THE SAME SANKYO AGRO CO LTD (JP) 2009-07-15 EP disclosed
CN-1543455-A 3-phenoxy-4-pyridazinol derivatives and herbicidal compositions containing the same 三共农业株式会社 2004-11-03 CN 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-20170152206-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ALDH1A1 2586/4885GAA 704/4885SMN1; SMN2 1384/4885
US-20160168116-A1 IRE-1alpha Inhibitors XBP1, DDIT3, ERN1 ALDH1A1 2586/4885GAA 704/4885SMN1; SMN2 1384/4885
US-20140080832-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ALDH1A1 2586/4885GAA 704/4885SMN1; SMN2 1384/4885
US-20090186893-A1 IRE-1alpha INHIBITORS XBP1, DDIT3, ERN1 ALDH1A1 2586/4885GAA 704/4885SMN1; SMN2 1384/4885

“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.