SCHEMBL24094271

SCHEMBL24094271

Cc1cn(COCCS(C)(C)C)c(-c2ccc(Br)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
BRD4 O60885 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
APP P05067 1/20 0.32
PAX8 Q06710 1/20 0.32
MAPT P10636 2/20 0.31
MC4R P32245 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
IKBKB O14920 1/20 0.31
CHUK O15111 1/20 0.31

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
SCHEMBL20169321 0.84 DGAT1 (0.56) DGAT1PTGS2
SCHEMBL27338948 0.82 DGAT1 (0.54) DGAT1BRD4
SCHEMBL20169374 0.82 DGAT1 (0.47) DGAT1PTGS2TP53
SCHEMBL22000136 0.80 DYRK1A (0.35) DGAT1MC4RPTGS2
SCHEMBL10177489 0.80 BRD4 (0.32) DGAT1BRD4
SCHEMBL22967311 0.78 LPL (0.38) DGAT1
SCHEMBL19485599 0.78 HRH3 (0.45) MAPTCYP1A2CYP2C9CYP2C19L3MBTL1
SCHEMBL18552939 0.75 DGAT1 (0.54) DGAT1NPC1RAB9ABRD4KMT2A
SCHEMBL20752460 0.73 DGAT1 (0.45) DGAT1BRD4
SCHEMBL16853707 0.73 ALPL (0.35) DGAT1

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-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA LIMITED (GB) 2023-01-26 US disclosed
EP-3743420-B1 HETEROCYCLYLAMINO-SUBSTITUTED TRIAZOLES AS MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE REDX PHARMA PLC (GB) 2021-12-15 EP 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-20230021916-A1 MODULATORS OF RHO-ASSOCIATED PROTEIN KINASE ROCK2, ROCK1, RHOA DGAT1 1628/4885NPC1 1504/4885RAB9A 377/4885

“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.