SCHEMBL23219108

SCHEMBL23219108

OCc1nn(C2CCCCO2)c2ccc(Br)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPK8 P45983 1/20 0.37
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
CNR2 P34972 3/20 0.34
CDK1 P06493 1/20 0.34
ATR Q13535 1/20 0.33
RAB9A P51151 1/20 0.33
FLT3 P36888 2/20 0.33
CNR1 P21554 1/20 0.33
TEAD1 P28347 1/20 0.33

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
SCHEMBL23782822 0.87 MAPT (0.36) RXRARXRBRXRGMAPTMAPK1
SCHEMBL18823917 0.87 CYP4F2 (0.40) RXRARXRBRXRGHTTCYP4F2
SCHEMBL16880533 0.86 RXRA (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL16125890 0.86 CYP4F2 (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL30182911 0.84 MAPT (0.38) RXRARXRBRXRGMAPTMAPK1
SCHEMBL29121743 0.82 TEAD1 (0.38) MAPTMAPK1ALDH1A1LMNATP53
SCHEMBL767404 0.81 CYP4F2 (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL24268653 0.81 MAPT (0.37) RXRARXRBRXRGMAPTMAPK1
SCHEMBL15744178 0.81 CYP4F2 (0.39) RXRARXRBRXRGMAPTMAPK1
SCHEMBL18281904 0.81 GAA (0.41) RXRARXRBRXRGMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
US-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 WILMINGTON TRUST, NATIONAL ASSOCIATION 2024-07-18 US disclosed
CN-117120419-A KLK5 bicyclic heteroaromatic inhibitors 拜奥克里斯特制药公司 2023-11-24 CN disclosed
EP-4041238-A1 ORAL COMPLEMENT FACTOR D INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-08-17 EP disclosed
CN-114502168-A Oral complement factor D inhibitors 拜奥克里斯特制药公司 2022-05-13 CN disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 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-20240239752-A1 BICYCLIC HETEROAROMATIC INHIBITORS OF KLK5 KLK5, KLK1, KLKB1 RXRA 3326/4885RXRB 2993/4885RXRG 2363/4885

“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.