SCHEMBL23997409

SCHEMBL23997409

Cn1cnnc1Cc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
ALDH1A1 P00352 2/20 0.41
APOBEC3G Q9HC16 1/20 0.41
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 1/20 0.36
MET P08581 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL25186525 0.82 HTR1A (0.40) HTR1AHTR2CALDH1A1MEN1USP2
SCHEMBL25186409 0.80 HTR1A (0.43) HTR1AHTR2CSMN1; SMN2TAAR1CYP11B1
SCHEMBL25182795 0.76 HTR1A (0.37) HTR1AHTR2CALDH1A1MEN1USP2
SCHEMBL25180165 0.76 HTR1A (0.37) HTR1AHTR2CALDH1A1MEN1USP2
SCHEMBL25178787 0.73 HTR1A (0.36) HTR1AHTR2CALDH1A1MEN1MAPT
SCHEMBL31275071 0.71 HTR1A (0.34) HTR1AHTR2CALDH1A1LMNAMAPT
SCHEMBL31275006 0.70 HTR2C (0.34) HTR1AHTR2CALDH1A1
SCHEMBL32686385 0.70 HTR1A (0.40) HTR1AHTR2CLMNA
SCHEMBL24661863 0.70 HTR1A (0.43) HTR1AHTR2CCYP19A1CYP11B1CYP11B2
SCHEMBL31274790 0.70 MAOB (0.45) ALDH1A1MEN1KMT2ASMN1; SMN2HRH3

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 8 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
EP-4146644-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2023-03-15 EP 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 HTR1A 4399/4885HTR2C 4549/4885ALDH1A1 471/4885
US-12454525-B2 IL4I1 inhibitors and methods of use IL4I1, IL4, IL2 HTR1A 4399/4885HTR2C 4549/4885ALDH1A1 471/4885

“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.