SCHEMBL23970938

SCHEMBL23970938

COC(=O)c1cc(N)c(N[C@@H]2C[C@H]2F)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 5/20 0.40
GAA P10253 4/20 0.40
HSD17B10 Q99714 3/20 0.40
GLA P06280 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
LMNA P02545 2/20 0.38
NFKB1 P19838 1/20 0.38
XDH P47989 1/20 0.38
GFER P55789 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
FUT7 Q11130 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL24850661 1.00 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL23971347 1.00 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL23971020 1.00 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL23970712 1.00 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL23970711 1.00 KDM4E (0.40) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL23971181 0.88 KDM4E (0.39) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL23971026 0.85 MAPT (0.37) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL23971028 0.85 MAPT (0.37) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL24850087 0.85 MAPT (0.37) KDM4EMAPTALDH1A1HPGDGAA
SCHEMBL30159043 0.85 MAPT (0.37) KDM4EMAPTALDH1A1HPGDGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. 2023-01-05 US disclosed
WO-2021222353-A1 MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2021-11-04 WO 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-20230002412-A1 INHIBITORS OF PEPTIDYLARGININE DEIMINASES PADI4, PADI2, PADI1 KDM4E 936/4885MAPT 3578/4885ALDH1A1 2537/4885

“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.