SCHEMBL23580147

SCHEMBL23580147

O=C(O)Nc1cc(F)nc(C(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.33
S1PR2 O95136 1/20 0.32
GRM4 Q14833 1/20 0.31
GBA1 P04062 1/20 0.31
THRB P10828 1/20 0.31
TP53 P04637 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
SCHEMBL23526026 0.79 SMARCA2 (0.35) SMARCA2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23608697 0.77 SYK (0.39) SMARCA2
SCHEMBL23580230 0.72 IGF1R (0.39) SMARCA2ALDH1A1
SCHEMBL17292918 0.72 SMARCA2 (0.66) SMARCA2
SCHEMBL23060373 0.71 BACE1 (0.39) S1PR2GRM4TP53
SCHEMBL2093377 0.66 EGFR (0.50) HPGDGRM4
SCHEMBL16992910 0.66 LMNA (0.54) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23831580 0.66 ALDH1A1 (0.52) ALDH1A1HSD17B10S1PR2
SCHEMBL15880770 0.66 GRM5 (0.48) SMARCA2TP53
Ammonia Solution, Strong SCHEMBL20873165 0.65 GPR35 (0.42) S1PR2TP53

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-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRÖDINGER, INC. 2024-01-18 US disclosed
WO-2021134004-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME SCHRODINGER, INC. (US) 2021-07-01 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-20240018157-A1 CYCLIC COMPOUNDS AND METHODS OF USING SAME MALT1, FKBP1B, FKBP1A SMARCA2 3538/4885ALDH1A1 2190/4885KDM4E 3357/4885

“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.