SCHEMBL25337365

SCHEMBL25337365

Fc1c(OCc2ccccc2)cc(Br)cc1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.49
PTGER1 P34995 2/20 0.47
MRGPRX4 Q96LA9 4/20 0.45
RXRA P19793 2/20 0.45
RXRB P28702 2/20 0.45
RXRG P48443 2/20 0.45
MAOB P27338 1/20 0.43
PTPN1 P18031 1/20 0.43
SLC6A4 P31645 2/20 0.42
AR P10275 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAPK14 Q16539 1/20 0.39
CCR5 P51681 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL30955958 0.82 PTGER1 (0.54) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL3726426 0.82 PTGER1 (0.54) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL3795791 0.81 KDM1A (0.64) KDM1APTGER1MRGPRX4MAOBSLC6A4
SCHEMBL20639142 0.79 KDM1A (0.55) KDM1APTGER1MRGPRX4RXRARXRB
SCHEMBL20756090 0.77 RXRA (0.54) MRGPRX4RXRARXRBRXRGSLC6A4
SCHEMBL20639243 0.77 MRGPRX4 (0.45) KDM1APTGER1MRGPRX4RXRARXRB
SCHEMBL26133457 0.77 MRGPRX4 (0.48) KDM1APTGER1MRGPRX4RXRARXRB
SCHEMBL26262216 0.76 PTGER1 (0.47) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL20638968 0.76 MRGPRX4 (0.51) PTGER1MRGPRX4RXRARXRBRXRG
SCHEMBL18893896 0.75 MRGPRX4 (0.49) KDM1APTGER1MRGPRX4RXRARXRB

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
US-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. 2024-03-14 US disclosed
EP-4221703-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2022072517-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 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-20240083861-A1 HSD17B13 INHIBITORS AND USES THEREOF HSD17B3, HSD17B11, HSD17B1 KDM1A 3306/4885PTGER1 1152/4885MRGPRX4 4156/4885

“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.