SCHEMBL1679942

SCHEMBL1679942

COc1cc([N+](=O)[O-])c(C(=O)OC(C)C)cc1Oc1ccc2c(c1)OC(F)(F)C(F)(F)O2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
LMNA P02545 3/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36

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
SCHEMBL1679945 0.90 TDP1 (0.47) POLBNPC1L3MBTL1CYP3A4LMNA
SCHEMBL1679975 0.87 MEN1 (0.44) POLBNPC1L3MBTL1CYP3A4LMNA
SCHEMBL1679907 0.83 L3MBTL1 (0.41) POLBL3MBTL1LMNAHTTMAPT
SCHEMBL1679895 0.81 LMNA (0.40) L3MBTL1LMNAMAPTPKMKDM4E
SCHEMBL1679898 0.81 TDP1 (0.47) NPC1L3MBTL1LMNAMAPTTDP1
SCHEMBL23086263 0.73 MAPT (0.42) POLBNPC1L3MBTL1CYP3A4LMNA
SCHEMBL22966186 0.71 HSPB1 (0.47) NPC1LMNAHTTMAPTTDP1
SCHEMBL22966261 0.71 SMN1; SMN2 (0.43) POLBLMNAMAPTTDP1KDM4E
SCHEMBL1679943 0.70 KMT2A (0.40) LMNAHTTMAPTTDP1ALDH1A1
SCHEMBL1679873 0.69 MEN1 (0.40) HTTMAPTTDP1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2305649-B1 METHOD FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREOF NIPPON KAYAKU KK (JP) 2013-04-24 EP disclosed
US-8367833-B2 Process for producing 6-aryloxyquinoline derivative and intermediate therefor NIPPON KAYAKU CO., LTD. (JP) 2013-02-05 US disclosed
US-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR MITSUI CHEMICALS CROP & LIFE SOLUTIONS, INC. (JP) 2011-05-19 US disclosed
EP-2305649-A1 METHOD FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREOF Nippon Kayaku Co., Ltd. (JP) 2011-04-06 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 (1 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-20110118468-A1 PROCESS FOR PRODUCING 6-ARYLOXYQUINOLINE DERIVATIVE AND INTERMEDIATE THEREFOR FAR1, CYP4F11, WEE2 POLB 3735/4885NPC1 3825/4885L3MBTL1 4063/4885

“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.