SCHEMBL30185299

SCHEMBL30185299

COC(=O)c1nc(-c2cc(F)c3c(c2)OC(F)(F)O3)ccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
PKM P14618 2/20 0.37
RCE1 Q9Y256 1/20 0.37
NOTUM Q6P988 2/20 0.35
ABL1 P00519 1/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
STIM1 Q13586 2/20 0.33
ORAI1 Q96D31 2/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ATR Q13535 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33

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
SCHEMBL24985260 1.00 KDM4E (0.37) KDM4EPKMRCE1NOTUMABL1
SCHEMBL30185125 0.87 KMO (0.39) ABL1STIM1ORAI1ATRORAI2
SCHEMBL24987940 0.87 KMO (0.39) ABL1STIM1ORAI1ATRORAI2
SCHEMBL30185224 0.86 KDM4E (0.33) KDM4EPKMRCE1NOTUMALDH1A1
SCHEMBL24985170 0.86 KDM4E (0.33) KDM4EPKMRCE1NOTUMALDH1A1
SCHEMBL24985366 0.84 KDM4E (0.42) KDM4EPKMRCE1NOTUMALDH1A1
SCHEMBL16072623 0.83 ATR (0.34) KDM4EPKMRCE1ALDH1A1SMN1; SMN2
SCHEMBL24986812 0.81 STIM1 (0.41) KDM4EPKMRCE1NOTUMALDH1A1
SCHEMBL30185162 0.81 STIM1 (0.41) KDM4EPKMRCE1NOTUMALDH1A1
SCHEMBL24986932 0.81 CSNK1E (0.37) KDM4EPKMRCE1NOTUMALDH1A1

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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF DOW AGROSCIENCES LLC (US) 2023-01-19 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-20230017045-A1 PYRIDINE AND PYRIMIDINE CARBOXYLATE HERBICIDES AND METHODS OF USE THEREOF PDXK, DPYD, DDT KDM4E 1143/4885PKM 1121/4885RCE1 2548/4885

“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.