SCHEMBL25840301

SCHEMBL25840301

CC(=O)NCc1c(F)cc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
P2RX7 Q99572 1/20 0.39
RIPK1 Q13546 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR1 P21554 1/20 0.39
POU2F2 P09086 3/20 0.38
EPHX2 P34913 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL29068639 0.82 ALDH1A1 (0.51) ALDH1A1ROCK2ROCK1P2RX7RIPK1
SCHEMBL5315965 0.80 SETDB1 (0.43) ALDH1A1NPSR1KMT2AEPHX2CYP1A2
SCHEMBL14232838 0.80 NPSR1 (0.53) NPSR1ROCK2ROCK1P2RX7KMT2A
SCHEMBL29788838 0.79 RIPK1 (0.46) ROCK2ROCK1RIPK1
SCHEMBL885252 0.78 KMT2A (0.48) ALDH1A1NPSR1RIPK1KMT2A
SCHEMBL29145665 0.77 ALDH1A1 (0.44) ALDH1A1ROCK2ROCK1P2RX7RIPK1
SCHEMBL5315312 0.76 P2RX7 (0.52) P2RX7RIPK1KMT2AEPHX2
SCHEMBL29788849 0.74 NPSR1 (0.43) ALDH1A1NPSR1ROCK2ROCK1P2RX7
SCHEMBL27470038 0.74 RIPK1 (0.42) ALDH1A1ROCK2ROCK1P2RX7RIPK1
SCHEMBL28171338 0.74 ALDH1A1 (0.43) ALDH1A1ROCK2ROCK1P2RX7RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122036718-A ALK5 inhibitor and preparation method and application thereof 安炎达医药技术(广州)有限公司 2026-05-15 CN disclosed
US-11845767-B2 Arginase inhibitors RIJKSUNIVERSITEIT GRONINGEN (NL) 2023-12-19 US disclosed
WO-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed
US-20220227791-A1 NOVEL ARGINASE INHIBITORS RIJKSUNIVERSITEIT GRONINGEN (NL) 2022-07-21 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 (2 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-20220227791-A1 NOVEL ARGINASE INHIBITORS ARG1, ARG2, ARGLU1 ALDH1A1 764/4885NPSR1 596/4885ROCK2 437/4885
US-11845767-B2 Arginase inhibitors ARG1, ARG2, ARGLU1 ALDH1A1 747/4885NPSR1 606/4885ROCK2 399/4885

“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.