SCHEMBL23850102

SCHEMBL23850102

COCCn1cc(Br)c(C(=O)OC)n1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.50
ALDH1A1 P00352 5/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 5/20 0.46
GAA P10253 2/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 8/20 0.43
MAPT P10636 4/20 0.43
HTT P42858 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
TP53 P04637 2/20 0.39

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
SCHEMBL24896679 0.86 NPC1 (0.48) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL858867 0.83 NPC1 (0.67) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19256696 0.79 NPC1 (0.48) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10286734 0.78 L3MBTL1 (0.48) NPC1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31429362 0.78 NPC1 (0.46) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL31573749 0.78 NPC1 (0.46) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL16445216 0.77 ALDH1A1 (0.43) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL9948309 0.77 SMN1; SMN2 (0.51) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19879840 0.76 ALDH1A1 (0.42) NPC1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL23850448 0.76 ALDH1A1 (0.35) NPC1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025096751-A1 MACROCYCLIC INHIBITORS OF ATP CITRATE LYASE ESPERION THERAPEUTICS, INC. (US) 2025-05-08 WO disclosed
US-12157741-B2 Macrocyclic inhibitors of DYRK1A DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-12-03 US disclosed
EP-3883573-B1 MACROCYCLIC INHIBITORS OF DYRK1A DANA FARBER CANCER INST INC (US) 2024-07-31 EP disclosed
CN-118119609-A Imidazole derivatives and their use as antibiotics 豪夫迈·罗氏有限公司 2024-05-31 CN disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-11858912-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2024-01-02 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2023-05-04 US disclosed
WO-2023285497-A1 IMIDAZOLE DERIVATIVES AND THEIR USE AS ANTIBIOTICS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-19 WO disclosed
US-20220112201-A1 MACROCYCLIC INHIBITORS OF DYRK1A DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-04-14 US disclosed
EP-3883573-A1 MACROCYCLIC INHIBITORS OF DYRK1A Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 EP disclosed
CN-113164475-A Macrocyclic inhibitors of DYRK1A 达纳-法伯癌症研究公司 2021-07-23 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 (4 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-11858912-B2 Heterocyclic compounds F12, C1R, MRPL21 NPC1 1233/4885ALDH1A1 1889/4885KDM4E 2488/4885
US-20220112201-A1 MACROCYCLIC INHIBITORS OF DYRK1A RET, DYRK1A, DYRK1B NPC1 2994/4885ALDH1A1 3723/4885KDM4E 1496/4885
US-20230133845-A1 NOVEL HETEROCYCLIC COMPOUNDS F12, PM20D2, XDH NPC1 1190/4885ALDH1A1 2361/4885KDM4E 2733/4885
US-12157741-B2 Macrocyclic inhibitors of DYRK1A RET, DYRK1A, DYRK1B NPC1 2994/4885ALDH1A1 3723/4885KDM4E 1496/4885

“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.