SCHEMBL25237152

SCHEMBL25237152

Clc1cc(Br)ccc1Cc1nnco1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PYCR1 P32322 1/20 0.36
▸ HTR2A P28223 2/20 0.33
▸ SLC6A4 P31645 2/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ NOTUM Q6P988 4/20 0.33
▸ KDR P35968 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL23997268 0.81 RAB9A (0.38) RAB9ANPC1PYCR1NOTUMALDH1A1
SCHEMBL23997326 0.73 RAB9A (0.42) RAB9ANPC1HTR2AALDH1A1POLB
SCHEMBL30345107 0.66 PYCR1 (0.47) PYCR1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL307792 0.66 PYCR1 (0.47) PYCR1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL6299216 0.66 PYCR1 (0.47) PYCR1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL307760 0.64 PYCR1 (0.46) PYCR1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL13955284 0.64 PYCR1 (0.46) PYCR1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL21995434 0.64 PYCR1 (0.46) RAB9ANPC1PYCR1HTR2ASLC6A4
SCHEMBL30467771 0.64 PYCR1 (0.46) PYCR1HTR2ASLC6A4KCNH2ALDH1A1
SCHEMBL2551704 0.64 PNMT (0.48) PYCR1HTR2ASLC6A4KCNH2

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
CN-115836054-B IL4I1 inhibitors and methods of use 默沙东有限责任公司 2024-12-10 — — CN 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

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 RAB9A 3126/4885NPC1 657/4885PYCR1 3767/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 RAB9A 3126/4885NPC1 657/4885PYCR1 3767/4885

“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.

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