SCHEMBL16063565

SCHEMBL16063565

COc1cc(F)c(-c2c(Cl)n3n(c2=O)CCOCC3)cc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
S1PR1 P21453 1/20 0.36
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL16063466 0.90 ALDH1A1 (0.42) KMT2AALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL16063519 0.87 MAPT (0.42) HTTALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL17466169 0.86 MAPT (0.40) HTTALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL16063521 0.86 ALDH1A1 (0.40) KMT2AALDH1A1MAPTMAPK1LMNA
SCHEMBL16068953 0.86 MAPT (0.39) HTTKMT2AALDH1A1MAPTCYP1A2
SCHEMBL16063527 0.85 KMT2A (0.36) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL16063587 0.85 KMT2A (0.36) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL16063523 0.84 MAPT (0.42) HTTKMT2AALDH1A1MAPTCYP1A2
SCHEMBL16068883 0.83 ALDH1A1 (0.40) HTTKMT2AALDH1A1MAPTMEN1
SCHEMBL16068819 0.82 TSHR (0.46) KMT2AALDH1A1MAPTLMNAGAA

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
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
WO-2014142308-A1 BICYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 WO disclosed
WO-2014142307-A1 POLYCYCLIC PYRAZOLINONE DERIVATIVE AND HERBICIDE COMPRISING SAME AS EFFECTIVE COMPONENT THEREOF 公益財団法人相模中央化学研究所 (JP) 2014-09-18 WO 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 HTT 2044/4885KMT2A 880/4885ALDH1A1 596/4885

“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.