SCHEMBL23997268

SCHEMBL23997268

Cc1cc(Br)ccc1Cc1nnco1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PYCR1 P32322 1/20 0.37
▸ TSHR P16473 2/20 0.35
▸ MTNR1A P48039 1/20 0.33
▸ MTNR1B P49286 1/20 0.33
▸ NOTUM Q6P988 2/20 0.33
▸ KDM5A P29375 1/20 0.32
▸ KDM4C Q9H3R0 1/20 0.32
▸ KDM5B Q9UGL1 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ EDNRB P24530 2/20 0.31
▸ EDNRA P25101 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SETDB1 Q15047 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL25237152 0.81 RAB9A (0.38) RAB9ANPC1PYCR1NOTUMMAPT
SCHEMBL23997326 0.73 RAB9A (0.42) RAB9ANPC1TSHRMTNR1AMTNR1B
SCHEMBL27715067 0.66 PYCR1 (0.46) RAB9APYCR1TSHRKDM5AKDM4C
SCHEMBL5736149 0.66 PYCR1 (0.42) RAB9ANPC1PYCR1TSHRKDM5A
SCHEMBL12909241 0.66 NOTUM (0.53) RAB9ANPC1TSHRNOTUMMAPT
SCHEMBL307129 0.66 PYCR1 (0.49) PYCR1KDM5AKDM4CKDM5BMAPT
SCHEMBL12164465 0.66 PYCR1 (0.49) PYCR1TSHRKDM5AKDM4CKDM5B
SCHEMBL29676673 0.66 PYCR1 (0.49) PYCR1KDM5AKDM4CKDM5BMAPT
SCHEMBL30169578 0.66 PYCR1 (0.49) PYCR1TSHRKDM5AKDM4CKDM5B
SCHEMBL8164579 0.65 SLC6A4 (0.46) PYCR1ALDH1A1

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-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
US-20230183214-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC 2023-06-15 — — 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
WO-2021226003-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2021-11-11 — — 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 (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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