Sugi Predict

Sugi Predict / Compounds / SCHEMBL1679953

SCHEMBL1679953

SCHEMBL1679953

Cc1cc([N+](=O)[O-])c(C(=O)OC(C)C)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.46
▸ CRHR2 Q13324 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ LMNA P02545 4/20 0.40
▸ COMT P21964 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA7 P43166 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ CA14 Q9ULX7 2/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL28694258 0.85 CRHBP (0.44) CRHBPCRHR2SMN1; SMN2GAALMNA
SCHEMBL31432589 0.84 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2NPC1RAB9A
SCHEMBL22966262 0.84 CRHBP (0.45) CRHBPCRHR2SMN1; SMN2NPC1RAB9A
SCHEMBL22966219 0.82 HPGD (0.50) CRHBPCRHR2SMN1; SMN2NPC1RAB9A
SCHEMBL22966233 0.80 TDP1 (0.48) CRHBPCRHR2SMN1; SMN2LMNAMEN1
SCHEMBL31161752 0.80 PDGFRB (0.52) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL28436639 0.79 SMN1; SMN2 (0.60) CRHBPCRHR2SMN1; SMN2MEN1KMT2A
SCHEMBL29094250 0.79 CRHBP (0.49) CRHBPCRHR2SMN1; SMN2NPC1RAB9A
SCHEMBL11614707 0.78 TSHR (0.49) LMNAMEN1KMT2ATDP1POLB
SCHEMBL28515553 0.78 PPIA (0.42) LMNAMAPK1PPIAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110272452-B Quinoline derivatives, preparation method and application thereof 山东中农联合生物科技股份有限公司 2022-01-11 — — CN disclosed
CN-108218708-B Preparation method and application of 5-chloro-4-methyl-2-nitrobenzoic acid 利尔化学股份有限公司 2021-01-05 — — CN disclosed
CN-108689928-B Quinoline derivative and preparation method and application thereof 山东省联合农药工业有限公司 2020-05-26 — — CN disclosed
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 CRHBP 4613/4885CRHR2 4645/4885SMN1; SMN2 4873/4885

“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.