SCHEMBL26133457

SCHEMBL26133457

Fc1cc(OCc2ccccc2)c(Br)c(C(F)(F)F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.48
KDM1A O60341 3/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
MAPK14 Q16539 2/20 0.42
PTGER1 P34995 2/20 0.42
AR P10275 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR2B P41595 1/20 0.40
MAOB P27338 1/20 0.40
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL30335518 0.81 KDM1A (0.49) KDM1AMAPK14PTGER1MAOBFFAR1
SCHEMBL23883871 0.81 KDM1A (0.49) KDM1AMAPK14PTGER1MAOBFFAR1
SCHEMBL4540283 0.81 KDM1A (0.56) MRGPRX4KDM1AMAPK14PTGER1MAOB
SCHEMBL30822044 0.80 RXRA (0.55) MRGPRX4RXRARXRBRXRGMAPK14
SCHEMBL9321924 0.79 THRB (0.46) MRGPRX4KDM1ARXRARXRBRXRG
SCHEMBL23899537 0.79 KDM1A (0.50) KDM1AMAPK14PTGER1MAOBFFAR1
SCHEMBL20756090 0.77 RXRA (0.54) MRGPRX4RXRARXRBRXRGMAPK14
SCHEMBL23883903 0.77 KDM1A (0.41) KDM1AMAPK14PTGER1FFAR1FFAR4
SCHEMBL30234729 0.77 KDM1A (0.41) KDM1AMAPK14PTGER1FFAR1FFAR4
SCHEMBL25337365 0.77 KDM1A (0.49) MRGPRX4KDM1ARXRARXRBRXRG

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
EP-4419532-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. Hoffmann-La Roche AG (CH) 2024-08-28 EP disclosed
US-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2024-08-22 US disclosed
CN-118119626-A Fused bicyclic heteroaryl compounds useful as NLRP3 inhibitors 豪夫迈·罗氏有限公司 2024-05-31 CN disclosed
WO-2023066825-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2023-04-27 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-20240279237-A1 FUSED BICYCLIC HETEROARYL COMPOUNDS USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, NLRP1 MRGPRX4 58/4885KDM1A 2076/4885RXRA 1346/4885

“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.