SCHEMBL1679929

SCHEMBL1679929

Cc1cc([N+](=O)[O-])c(C(=O)OC2CCCCC2)cc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
POLB P06746 2/20 0.40
HPGD P15428 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
PPARD Q03181 2/20 0.37
PPARA Q07869 1/20 0.37
PKM P14618 1/20 0.37
HSPB1 P04792 1/20 0.37
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SCN8A Q9UQD0 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
SCHEMBL1679937 0.83 TDP1 (0.50) KMT2AMEN1POLBHPGDSMN1; SMN2
SCHEMBL1679941 0.81 USP10 (0.44) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL1679943 0.80 KMT2A (0.40) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL1679925 0.76 MAPT (0.43) KMT2AMEN1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1679874 0.74 MAPT (0.40) NPC1RAB9AHPGDSMN1; SMN2ALDH1A1
SCHEMBL22966186 0.73 HSPB1 (0.47) KMT2ANPC1RAB9AHPGDSMN1; SMN2
SCHEMBL1679958 0.73 TDP1 (0.49) KMT2AMEN1POLBHPGDSMN1; SMN2
SCHEMBL1780310 0.73 TDP1 (0.57) KMT2AMEN1POLBHPGDSMN1; SMN2
SCHEMBL27248895 0.71 MEN1 (0.50) KMT2AMEN1NPC1RAB9APOLB
SCHEMBL1679873 0.71 MEN1 (0.40) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1

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 KMT2A 902/4885MEN1 2109/4885NPC1 3825/4885

“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.