SCHEMBL24986754

SCHEMBL24986754

COC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)c(Cl)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.42
CTSA P10619 1/20 0.42
CFTR P13569 2/20 0.42
PLAU P00749 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
RCE1 Q9Y256 1/20 0.41
MAPT P10636 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
STAT3 P40763 1/20 0.39
STAT1 P42224 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK14 Q16539 1/20 0.39
CYP1A1 P04798 1/20 0.39
CYP1B1 Q16678 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL30185242 1.00 NOTUM (0.42) NOTUMCTSACFTRPLAUTRPV1
SCHEMBL24987852 0.90 PLAU (0.43) NOTUMCTSACFTRPLAUTRPV1
SCHEMBL24987896 0.85 NPSR1 (0.45) CTSACFTRKDM4EMAPTMRGPRX4
SCHEMBL30185202 0.85 NPSR1 (0.45) CTSACFTRKDM4EMAPTMRGPRX4
SCHEMBL24984961 0.84 KIF11 (0.39) NOTUMCFTRTRPV1KDM4EPKM
SCHEMBL22366808 0.84 PDE10A (0.42) NOTUMKDM4EPKMRCE1MAPT
SCHEMBL24987817 0.83 DHODH (0.47) PLAUTRPV1STAT3STAT1MRGPRX4
SCHEMBL30185312 0.83 CTSA (0.47) CTSACFTRMAPTMRGPRX4CYP1A2
SCHEMBL24985537 0.83 CTSA (0.47) CTSACFTRMAPTMRGPRX4CYP1A2
SCHEMBL24984513 0.80 NPC1 (0.46) NOTUMCFTRTRPV1KDM4EPKM

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 NOTUM 993/4885CTSA 4611/4885CFTR 4476/4885

“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.