SCHEMBL21497982

SCHEMBL21497982

C[C@H](NC(=N)C(=O)c1cc(C(=O)Nc2ccc(F)c(C#N)c2)n(C)c1Cl)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.41
SLC10A1 Q14973 11/20 0.38
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F11 P03951 3/20 0.33
KCNH2 Q12809 1/20 0.33
AR P10275 1/20 0.33
KLKB1 P03952 1/20 0.33
FSCN1 Q16658 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
SCHEMBL17838294 0.91 SLC10A1 (0.44) GRM4SLC10A1ALDH1A1L3MBTL1F11
SCHEMBL17838260 0.91 SLC10A1 (0.44) GRM4SLC10A1ALDH1A1L3MBTL1F11
SCHEMBL21497983 0.83 GRM4 (0.42) GRM4SLC10A1ALDH1A1L3MBTL1F11
SCHEMBL19881915 0.82 GRM4 (0.49) GRM4SLC10A1ALDH1A1L3MBTL1KCNH2
SCHEMBL17838291 0.81 SLC10A1 (0.42) GRM4SLC10A1ARFSCN1
SCHEMBL20467193 0.81 SLC10A1 (0.42) GRM4SLC10A1ARFSCN1
SCHEMBL17838303 0.81 GRM4 (0.40) GRM4SLC10A1KCNH2ARFSCN1
SCHEMBL21427803 0.80 GRM4 (0.41) GRM4SLC10A1ALDH1A1L3MBTL1AR
SCHEMBL30294232 0.80 GRM4 (0.41) GRM4SLC10A1ALDH1A1L3MBTL1AR
SCHEMBL28902794 0.80 GRM4 (0.41) GRM4SLC10A1ALDH1A1L3MBTL1AR

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-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B JANSSEN SCIENCES IRELAND UC (IE) 2019-10-22 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-10450270-B2 Glyoxamide substituted pyrrolamide derivatives and the use thereof as medicaments for the treatment of hepatitis B GRHPR, AGXT, GLS2 GRM4 2037/4885SLC10A1 64/4885ALDH1A1 4103/4885

“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.