SCHEMBL21155600

SCHEMBL21155600

CC(Cl)OC(=O)N(C)c1ncccc1CO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KDM4E B2RXH2 5/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ GMNN O75496 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ PMP22 Q01453 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32

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
SCHEMBL26024103 0.83 HTT (0.35) KMT2AMEN1CYP1A2MAPTLMNA
SCHEMBL29868093 0.81 ALDH1A1 (0.36) KDM4EGAAMAPTMAPK1LMNA
SCHEMBL23541501 0.81 KCNA5 (0.41) KDM4EMAPTMAPK1L3MBTL1
SCHEMBL23084689 0.81 POLB (0.35) KMT2ALMNAL3MBTL1GMNNALDH1A1
SCHEMBL23084690 0.81 ALDH1A1 (0.36) KDM4EGAAMAPTMAPK1LMNA
SCHEMBL23084702 0.81 MEN1 (0.38) KMT2AMEN1KDM4EGAAMAPK1
SCHEMBL29868015 0.81 MEN1 (0.38) KMT2AMEN1KDM4EGAAMAPK1
SCHEMBL20712022 0.79 CASP3 (0.32) KMT2AL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL25432478 0.79 MMP13 (0.34) KMT2A
SCHEMBL14559779 0.78 TACR1 (0.32) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113861107-A Preparation method of isavuconazole sulfate intermediate 开封明仁药业有限公司 2021-12-31 — — CN claimed
CN-119192067-A Preparation method of isaconazole side chain intermediate C1 山东齐都药业有限公司 2024-12-27 — — CN disclosed
CN-113861107-A Preparation method of isavuconazole sulfate intermediate 开封明仁药业有限公司 2021-12-31 — — CN disclosed
CN-113861107-A Preparation method of isavuconazole sulfate intermediate 开封明仁药业有限公司 2021-12-31 — — CN disclosed
US-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-03-11 — — US disclosed
WO-2019136112-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-11 — — 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 (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-20210070698-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT KMT2A 446/4885MEN1 1033/4885KDM4E 280/4885

“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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