SCHEMBL5001817

SCHEMBL5001817

CCOc1c[c]ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.50
LMNA P02545 5/20 0.50
MAPT P10636 6/20 0.47
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
RECQL P46063 2/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 4/20 0.42
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL21268382 0.87 NPC1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL4521634 0.87 ALDH1A1 (0.50) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL11686983 0.86 NPC1 (0.46) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL16959991 0.83 NPC1 (0.50) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL429269 0.82 ALDH1A1 (0.58) ALDH1A1LMNAMAPTKMT2ARECQL
SCHEMBL16959374 0.81 NPC1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL15111252 0.80 NPC1 (0.39) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL5668688 0.78 SGMS2 (0.46) MAPTKMT2AMEN1RECQLRAB9A
SCHEMBL16974722 0.77 PDK1 (0.47) ALDH1A1LMNAMAPTKMT2AMEN1
SCHEMBL2882305 0.75 ALDH1A1 (0.39) ALDH1A1LMNAMAPTKMT2AMEN1

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
EP-0388994-B1 Substituted pyridinesulfonamide compounds, herbicidal composition containing them, and method of preparing these compounds ISHIHARA SANGYO KAISHA (JP) 1994-10-05 EP claimed
EP-0232067-B2 Substituted pyridinesulfonamide compounds, herbicidal composition containing them, and method of preparing these compounds ISHIHARA SANGYO KAISHA (JP) 1994-03-16 EP claimed
EP-0023785-B1 QUINOXALINYLOXYPHENOXYALKANE CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES ICI AUSTRALIA LIMITED (AU) 1985-04-03 EP claimed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
EP-3339286-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-06-27 EP disclosed
EP-2427426-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2018-02-07 EP disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
EP-3099694-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-12-07 EP disclosed
US-9334286-B2 Pharmacologically active compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2016-05-10 US disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
US-20150218181-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2015-08-06 US disclosed
WO-2013092942-A1 USE OF AMINOBENZAMIDE DERIVATIVES FOR CONTROLLING ANIMAL PARASITES SYNGENTA PARTICIPATIONS AG (CH) 2013-06-27 WO disclosed
US-20120295907-A1 INSECTICIDAL COMPOUNDS SYNGENTA CROP PROTECTION, LLC (US) 2012-11-22 US disclosed
WO-2012097682-A1 BICYCLIC INHIBITORS OF ALK ABBOTT LABORATORIES (US) 2012-07-26 WO disclosed
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US disclosed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 EP disclosed
US-4415354-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES ROHM AND HAAS COMPANY (US) 1983-11-15 US disclosed
US-4345935-A PREEMERGENT AND POSTEMERGENT APPLICATION ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
US-4345936-A Imidazoles, compositions and herbicidal method ELI LILLY AND COMPANY (US) 1982-08-24 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-20120295907-A1 INSECTICIDAL COMPOUNDS ACHE, AADAC, BCHE ALDH1A1 331/4885LMNA 868/4885MAPT 2204/4885
US-20150218181-A1 PHARMACOLOGICALLY ACTIVE COMPOUNDS BUB1B, BUB1, PLK1 ALDH1A1 3651/4885LMNA 1217/4885MAPT 1143/4885
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 ALDH1A1 1336/4885LMNA 4804/4885MAPT 4708/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX ALDH1A1 1019/4885LMNA 2676/4885MAPT 4724/4885

“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.