SCHEMBL21491096

SCHEMBL21491096

O=C(O)c1cc(-n2c(=O)cc(C(F)(F)F)[nH]c2=O)c(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 17/20 0.53
BCAT2 O15382 15/20 0.53
NOTUM Q6P988 1/20 0.41
ALDH1A1 P00352 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL3321881 0.90 BCAT1 (0.51) BCAT1BCAT2NOTUMALDH1A1CYP2C9
SCHEMBL23436399 0.83 BCAT1 (0.56) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL22720001 0.81 BCAT1 (0.51) BCAT1BCAT2NOTUM
SCHEMBL9274567 0.81 TDP1 (0.50) BCAT1BCAT2NOTUMALDH1A1CYP2C9
SCHEMBL20356743 0.81 BCAT1 (0.50) BCAT1BCAT2NOTUMALDH1A1CYP2C9
SCHEMBL22720000 0.80 BCAT1 (0.51) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL25404499 0.80 BCAT1 (0.47) BCAT1BCAT2NOTUMALDH1A1CYP2C9
SCHEMBL28887933 0.79 BCAT1 (0.48) BCAT1BCAT2NOTUM
SCHEMBL9879060 0.79 BCAT1 (0.50) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19
SCHEMBL9423008 0.79 BCAT1 (0.53) BCAT1BCAT2ALDH1A1CYP2C9CYP2C19

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-11634390-B2 Agricultural chemicals GLOBACHEM NV (BE) 2023-04-25 US disclosed
US-11634390-B2 Agricultural chemicals GLOBACHEM NV (BE) 2023-04-25 US disclosed
US-20190322627-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-10-24 US disclosed
US-20190322627-A1 AGRICULTURAL CHEMICALS GLOBACHEM NV (BE) 2019-10-24 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 (2 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-20190322627-A1 AGRICULTURAL CHEMICALS DDT, DHFR, AS3MT BCAT1 827/4885BCAT2 672/4885NOTUM 11/4885
US-11634390-B2 Agricultural chemicals DDT, DHFR, AS3MT BCAT1 827/4885BCAT2 672/4885NOTUM 11/4885

“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.