SCHEMBL28989062

SCHEMBL28989062

COC(=O)Nc1c(F)cccc1Br

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.48
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 1/20 0.44
DHODH Q02127 3/20 0.43
PDE4D Q08499 1/20 0.41
KMT2A Q03164 2/20 0.41
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10781336 0.87 SMN1; SMN2 (0.44) NLRP3ALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL4825037 0.87 NLRP3 (0.58) NLRP3ALDH1A1L3MBTL1PDE4DKMT2A
SCHEMBL23054108 0.84 HTT (0.45) NLRP3ALDH1A1HTTDHODHKMT2A
SCHEMBL30954548 0.82 HDAC1 (0.48) ALDH1A1HTTDHODHKMT2ASMN1; SMN2
SCHEMBL16240385 0.82 HDAC1 (0.48) ALDH1A1HTTDHODHKMT2ASMN1; SMN2
SCHEMBL9410531 0.81 PDE4D (0.49) NLRP3ALDH1A1L3MBTL1PDE4DKMT2A
SCHEMBL19781758 0.81 NLRP3 (0.53) NLRP3ALDH1A1L3MBTL1PDE4DKMT2A
SCHEMBL23043120 0.80 KMT2A (0.49) NLRP3ALDH1A1HTTDHODHKMT2A
SCHEMBL20560207 0.79 HTT (0.46) ALDH1A1HTTDHODHKMT2ATHRB
SCHEMBL20621414 0.78 NLRP3 (0.54) NLRP3ALDH1A1L3MBTL1PDE4DKMT2A

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
US-12454525-B2 IL4I1 inhibitors and methods of use MERCK SHARP & DOHME LLC (US) 2025-10-28 US disclosed
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 US disclosed
CN-115836054-A IL4I1 inhibitors and methods of use 默沙东有限责任公司 2023-03-21 CN disclosed
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 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 (2 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-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL2 NLRP3 486/4885ALDH1A1 471/4885L3MBTL1 4116/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 NLRP3 486/4885ALDH1A1 471/4885L3MBTL1 4116/4885

“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.