SCHEMBL1781038

SCHEMBL1781038

COc1cc([N+](=O)[O-])c(C(=O)OCc2ccccc2)cc1Oc1ccc(OC(F)(F)C(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CETP P11597 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.39
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
NPC1 O15118 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL1780579 0.86 TDP1 (0.46) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL1679925 0.83 MAPT (0.43) MEN1KMT2AMAPTL3MBTL1GAA
SCHEMBL29729282 0.80 MEN1 (0.54) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL874114 0.80 MEN1 (0.54) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL2089147 0.80 MEN1 (0.54) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL1679907 0.79 L3MBTL1 (0.41) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL12310509 0.77 ALDH1A1 (0.54) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL29172544 0.76 MEN1 (0.48) MEN1KMT2AMAPTLMNAL3MBTL1
SCHEMBL12118843 0.76 MEN1 (0.47) MEN1KMT2AMAPTLMNAPKM
SCHEMBL1679874 0.74 MAPT (0.40) MAPTL3MBTL1NPC1CYP3A4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MEN1 2109/4885KMT2A 902/4885MAPT 4340/4885

“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.