SCHEMBL22966186

SCHEMBL22966186

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 3/20 0.47
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPSR1 Q6W5P4 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 3/20 0.40
HTT P42858 3/20 0.40
TDP1 Q9NUW8 1/20 0.39
GAA P10253 2/20 0.37
MITF O75030 1/20 0.37
CCR6 P51684 1/20 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
SCHEMBL1679943 0.91 KMT2A (0.40) HSPB1CRHBPCRHR2SMN1; SMN2NPSR1
SCHEMBL23086263 0.91 MAPT (0.42) CRHBPCRHR2SMN1; SMN2NPSR1ALDH1A1
SCHEMBL22966278 0.90 SMN1; SMN2 (0.42) HSPB1CRHBPCRHR2SMN1; SMN2NPSR1
SCHEMBL22966233 0.90 TDP1 (0.48) CRHBPCRHR2SMN1; SMN2NPSR1CYP1A2
SCHEMBL28701917 0.87 MERTK (0.48) CRHBPCRHR2SMN1; SMN2NPSR1CYP1A2
SCHEMBL1679873 0.83 MEN1 (0.40) HSPB1CRHBPCRHR2SMN1; SMN2NPSR1
SCHEMBL22966261 0.83 SMN1; SMN2 (0.43) CRHBPCRHR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL22966220 0.83 L3MBTL1 (0.51) CRHBPCRHR2SMN1; SMN2CYP1A2CYP2C19
SCHEMBL22966231 0.82 MAPT (0.43) CRHBPCRHR2SMN1; SMN2NPSR1CYP1A2
SCHEMBL22966235 0.82 MAPT (0.46) CRHBPCRHR2SMN1; SMN2NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF Dongguan HEC Pesticides R&D Co., Ltd. (CN) 2021-02-11 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-20210040041-A1 QUINOLINE DERIVATIVES AND PREPARATION METHODS AND USES THEREOF NQO2, RDX, RIN1 HSPB1 4061/4885CRHBP 3820/4885CRHR2 884/4885

“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.