SCHEMBL24401271

SCHEMBL24401271

O=C(O)c1cnc2c(c1)CCC2(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 0.41
CYP2C19 P33261 2/20 0.41
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41
GRM1 Q13255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
P4HA1 P13674 3/20 0.38
P4HTM Q9NXG6 2/20 0.38
HCAR3 P49019 4/20 0.37
KDM1A O60341 2/20 0.37
MIF P14174 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36

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
SCHEMBL24401270 0.82 MAPK1 (0.43) ALDH1A1KDM4EMAPK1KMT2AL3MBTL1
SCHEMBL24401253 0.74 HCAR2 (0.36) P4HA1P4HTMHCAR3KDM1AMIF
SCHEMBL29746865 0.74 HCAR2 (0.36) P4HA1P4HTMHCAR3KDM1AMIF
SCHEMBL24400674 0.73 KDM4E (0.62) ALDH1A1KDM4EMAPTCYP2C19POLB
SCHEMBL24401007 0.71 KDM1A (0.58) ALDH1A1KDM4EMAPTCYP2C19POLB
SCHEMBL24641188 0.71 RXRA (0.40) ALDH1A1KDM4EMAPTCYP2C19POLB
SCHEMBL38655283 0.69 HCAR2 (0.38) KDM4EP4HA1P4HTMHCAR3HCAR2
SCHEMBL2302354 0.69 RXRA (0.37) ALDH1A1KDM4EMAPTCYP2C19POLB
SCHEMBL38655402 0.69 HCAR2 (0.38) KDM4EP4HA1P4HTMHCAR3HCAR2
SCHEMBL21783039 0.68 NNMT (0.42) ALDH1A1KDM4EMAPTCYP2C19POLB

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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 US disclosed
US-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF Eternity Bioscience Inc. 2022-05-05 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-20220135539-A1 BIARYL AMIDE COMPOUNDS, PREPARATION METHODS AND MEDICAL APPLICATIONS THEREOF BRAF, NRAS, RAF1 ALDH1A1 1618/4885KDM4E 2984/4885MAPT 4504/4885

“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.