SCHEMBL6334602

SCHEMBL6334602

Cc1cc(C(=O)O)c(Cl)c(-n2nn[nH]c2=O)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLCN2 P51788 2/20 0.34
SPR P35270 1/20 0.33
DYRK1A Q13627 1/20 0.33
MCL1 Q07820 1/20 0.32
BAK1 Q16611 1/20 0.32
MYC P01106 1/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 2/20 0.31
CYP3A4 P08684 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL8977207 0.70 ALDH1A1 (0.39) KDM4EHSD17B10ALDH1A1
SCHEMBL8686907 0.69 KDM4E (0.35) KDM4EALDH1A1
SCHEMBL8686369 0.69 ALDH1A1 (0.39) KDM4EGAAHPGDALDH1A1L3MBTL1
SCHEMBL6326285 0.68 NR4A2 (0.36) KDM4EGAAHPGDHSD17B10ALDH1A1
SCHEMBL8598961 0.67 MAPK11 (0.39) GAAALDH1A1MAPK1
SCHEMBL8977225 0.66 ALDH1A1 (0.39) GAAALDH1A1NOTUMMAPK1
SCHEMBL9730122 0.66 GRIN2D (0.41) GAAL3MBTL1
SCHEMBL8686381 0.66 RXFP1 (0.38)
SCHEMBL16490934 0.66 CSNK1A1 (0.33) ALDH1A1
SCHEMBL27667221 0.66 P2RX7 (0.47) SPR

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-6936570-B2 Tetrazolinone derivatives NIHON BAYER AGROCHEM, K.K. (JP) 2005-08-30 US disclosed
US-20040242895-A1 Novel tetrazolinone derivatives YANAGI AKIHIKO (JP) 2004-12-02 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-20040242895-A1 Novel tetrazolinone derivatives CBR3, CBR1, CYP1B1 KDM4E 2355/4885GAA 2740/4885HPGD 3771/4885

“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.