SCHEMBL22006597

SCHEMBL22006597

CCNC(=O)N(C)CC(F)F

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRL1 P41146 1/20 0.33
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31

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
SCHEMBL970144 0.81 CHRNB2 (0.38) ALDH1A1GAAKMT2ACHRNB2CHRNB4
SCHEMBL19027648 0.78
SCHEMBL22006578 0.78 ALDH1A1 (0.35) ALDH1A1GAAKMT2AMMP1MMP2
SCHEMBL966999 0.75
SCHEMBL19892651 0.75 CHRNB2 (0.38) ALDH1A1GAACHRNB2CHRNB4CHRNA3
SCHEMBL965564 0.74 ALDH1A1 (0.38) ALDH1A1GAAKMT2ACHRNB2CHRNB4
SCHEMBL21413605 0.71 ALDH1A1 (0.30) ALDH1A1
SCHEMBL4587697 0.71
SCHEMBL969640 0.71 ALDH1A1 (0.39) ALDH1A1GAAKMT2ACHRNB2CHRNB4
SCHEMBL969186 0.71 ALDH1A1 (0.36) ALDH1A1GAAKMT2ACHRNB2CHRNB4

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-20200157086-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2020-05-21 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-20200157086-A1 BENZAMIDE COMPOUNDS AND THEIR USE AS HERBICIDES CBR3, NR2C2, H1-2 ALDH1A1 765/4885GAA 2280/4885KMT2A 329/4885

“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.