SCHEMBL4458038

SCHEMBL4458038

Cc1ccc(S(=O)(=O)O)c(-c2cc(Cl)nnc2Oc2ccc(C(C)(C)C)cc2Br)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 10/20 0.35
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SCN9A Q15858 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CYP2C19 P33261 1/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL2047609 0.76 KMT2A (0.38) NR1I2ALDH1A1KMT2AMEN1HTT
SCHEMBL2051540 0.74 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1NPC1HTT
SCHEMBL2749919 0.67 ALDH1A1 (0.41) NR1I2ALDH1A1KMT2AMEN1NPC1
SCHEMBL5608505 0.66 TSHR (0.44) NR1I2ALDH1A1NPC1RAB9AMAPT
SCHEMBL38656301 0.65 ALDH1A1 (0.52) ALDH1A1KMT2AMEN1NPC1HTT
SCHEMBL2051855 0.64 ALDH1A1 (0.38) NR1I2ALDH1A1KMT2AMEN1HTT
SCHEMBL5597375 0.64 MAOB (0.44) ALDH1A1KMT2ANPC1HTTRAB9A
SCHEMBL18322815 0.61 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1NPC1HTT
SCHEMBL31494555 0.61 CA1 (0.49) NR1I2ALDH1A1KMT2AMEN1HTT
SCHEMBL2748548 0.61 CA1 (0.49) NR1I2ALDH1A1KMT2AMEN1HTT

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-7608563-B2 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same MITSUI AGRO CHEMICALS, INC. (JP) 2009-10-27 US disclosed
US-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same SANKYO AGRO COMPANY, LIMITED (JP) 2005-02-17 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-20050037925-A1 3-phenoxy-4-pyridazinol derivatives and herbicide composition containing the same CBR3, DDT, CHRM2 NR1I2 541/4885ALDH1A1 762/4885KMT2A 493/4885

“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.