SCHEMBL6743760

SCHEMBL6743760

C#CCN1C(=O)COc2cc(-c3ncc(C(F)(F)F)c(C)c3Cl)c(F)cc21

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.32
CHRM1 P11229 1/20 0.32
KMO O15229 1/20 0.32
SLC5A1 P13866 2/20 0.31
SLC5A2 P31639 2/20 0.31
RORC P51449 1/20 0.31
USP2 O75604 1/20 0.30
HTT P42858 1/20 0.30
EGFR P00533 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
SCHEMBL8570945 0.81 SLC5A1 (0.33) PTAFRCHRM1KMOSLC5A1SLC5A2
SCHEMBL6719202 0.79 EGFR (0.34) PTAFRSLC5A1SLC5A2EGFR
SCHEMBL6911403 0.78 SLC5A1 (0.33) PTAFRCHRM1KMOSLC5A1SLC5A2
SCHEMBL8192258 0.77 CHRM1 (0.33) CHRM1EGFR
SCHEMBL4677641 0.76 CHRM1 (0.32) CHRM1RORCHTT
SCHEMBL6739100 0.74 NR3C2 (0.40)
SCHEMBL12406710 0.72 CHRM1 (0.33) CHRM1RORCEGFR
SCHEMBL26001237 0.72 SLC5A1 (0.34) PTAFRKMOSLC5A1SLC5A2
SCHEMBL26004809 0.72 PTAFR (0.36) PTAFRCHRM1KMOUSP2HTT
SCHEMBL4682695 0.72 CHRM1 (0.34) CHRM1RORCHTT

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-20040043903-A1 Herbicides; applying to plants BASF AKTIENGESELLSCHAFT (DE) 2004-03-04 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-20040043903-A1 Herbicides; applying to plants DDT, DRD1, DRD4 PTAFR 4768/4885CHRM1 148/4885KMO 827/4885

“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.