SCHEMBL17466124

SCHEMBL17466124

Cc1ccc(Oc2cc(Br)c(F)cc2[N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
MAPK1 P28482 2/20 0.49
HSPB1 P04792 4/20 0.48
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
MITF O75030 1/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MERTK Q12866 1/20 0.41
PDE7A Q13946 1/20 0.41
PTPN1 P18031 1/20 0.40
HPGD P15428 2/20 0.40

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
SCHEMBL16068847 0.89 HSPB1 (0.48) ALDH1A1SMN1; SMN2MAPK1HSPB1LMNA
SCHEMBL17466130 0.85 MAPT (0.45) ALDH1A1SMN1; SMN2HSPB1LMNAKMT2A
SCHEMBL16069483 0.82 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2MAPK1HSPB1LMNA
SCHEMBL16069478 0.80 PIN1 (0.46) ALDH1A1SMN1; SMN2HSPB1LMNAKMT2A
SCHEMBL31090846 0.77 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPK1HSPB1LMNA
SCHEMBL310903 0.77 MAPT (0.45) ALDH1A1MAPK1HSPB1LMNAKMT2A
SCHEMBL16068695 0.77 L3MBTL1 (0.60) ALDH1A1SMN1; SMN2MAPK1HSPB1LMNA
SCHEMBL17466122 0.75 LMNA (0.41) ALDH1A1LMNAKMT2AMAPTMEN1
SCHEMBL17466121 0.75 TEAD4 (0.43) ALDH1A1SMN1; SMN2MAPK1LMNAKMT2A
SCHEMBL16069088 0.75 HSPB1 (0.53) ALDH1A1SMN1; SMN2HSPB1LMNAKMT2A

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-9580444-B2 Polycyclic pyrazolinone derivative and herbicide comprising same as effective component thereof SAGAMI CHEMICAL RESEARCH INSTITUTE (JP) 2017-02-28 US disclosed
US-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF KAKEN PHARMACEUTICAL CO., LTD. (JP) 2016-01-28 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-20160024110-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF DDT, PDHX, CYP4X1 ALDH1A1 596/4885SMN1; SMN2 3533/4885MAPK1 2702/4885

“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.