SCHEMBL23624640

SCHEMBL23624640

Cc1ccc(OCc2ccc(CN)cc2C)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
MAPK14 Q16539 4/20 0.44
FFAR4 Q5NUL3 3/20 0.39
FFAR1 O14842 2/20 0.39
MAOB P27338 2/20 0.38
ROCK2 O75116 1/20 0.38
AKT1 P31749 1/20 0.38
ROCK1 Q13464 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
ALDH1A1 P00352 1/20 0.36
CSNK2A1 P68400 1/20 0.35
PLAU P00749 1/20 0.35
PPARA Q07869 1/20 0.35

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
SCHEMBL257777 0.78 MRGPRX4 (0.57) MRGPRX4FFAR4FFAR1PPARA
SCHEMBL26434787 0.77 MRGPRX4 (0.58) MRGPRX4FFAR4MAOBALDH1A1
SCHEMBL15588794 0.74 MRGPRX4 (0.56) MRGPRX4MAPK14FFAR4FFAR1MAOB
SCHEMBL12993001 0.72 LOXL2 (0.38) MAOBLOXL2CSNK2A1
SCHEMBL16210864 0.72 MRGPRX4 (0.53) MRGPRX4MAPK14MAOBALDH1A1
SCHEMBL171841 0.71 MRGPRX4 (0.68) MRGPRX4FFAR4MAOB
SCHEMBL26698908 0.71 MRGPRX4 (0.56) MRGPRX4FFAR4FFAR1MAOB
SCHEMBL3126227 0.71 KDM1A (0.51) FFAR1ROCK2AKT1ROCK1RPS6KA1
SCHEMBL14392653 0.71 MRGPRX4 (0.44) MRGPRX4ALDH1A1
SCHEMBL30931597 0.70 LOXL2 (0.58) LOXL2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4085059-B1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE HK LTD (HK) 2024-03-20 EP disclosed
US-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same ACCRO BIOSCIENCE (HK) LIMITED (HK) 2023-04-20 US disclosed
WO-2021138694-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF PROGRAMMED NECROSIS PATHWAY, COMPOSITION AND METHOD USING THE SAME ACCRO BIOSCIENCE INC. (KY) 2021-07-08 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-20230121233-A1 Heteroaryl compounds as inhibitors of programmed necrosis pathway, composition and method using the same BAX, PDCD1, PDCD4 MRGPRX4 3351/4885MAPK14 844/4885FFAR4 2327/4885

“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.