SCHEMBL21839987

SCHEMBL21839987

COC(=O)c1cc(Br)c(OC)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TPMT P51580 2/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
VCAM1 P19320 1/20 0.49
MAPT P10636 7/20 0.48
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 4/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABL1 P00519 1/20 0.43

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
SCHEMBL5216905 0.89 TPMT (0.64) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL24823491 0.86 TPMT (0.48) TPMTMEN1KMT2AMAPTKDM4E
SCHEMBL29407123 0.84 VCAM1 (0.51) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL30740961 0.84 TPMT (0.59) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL28690833 0.84 VCAM1 (0.51) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL8462586 0.84 TPMT (0.59) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL443827 0.83 MEN1 (0.51) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL12774975 0.83 VCAM1 (0.50) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL443612 0.83 ALDH1A1 (0.51) TPMTMEN1KMT2AVCAM1MAPT
SCHEMBL30153000 0.83 MEN1 (0.51) TPMTMEN1KMT2AVCAM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2025-05-22 US disclosed
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-08-08 US disclosed
US-20240190829-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2024-06-13 US disclosed
CN-117794912-A Substituted heterocyclic compounds 百时美施贵宝公司 2024-03-29 CN disclosed
EP-4337655-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS Bristol-Myers Squibb Company (US) 2024-03-20 EP disclosed
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2024-02-27 US disclosed
US-11866414-B2 Substituted heterocyclic compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-09 US disclosed
CN-110678450-B Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2023-06-20 CN disclosed
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2022-12-29 US disclosed
WO-2022241171-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY (US) 2022-11-17 WO disclosed
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF ILDONG PHARMACEUTICAL CO LTD (KR) 2021-06-24 US disclosed
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof IL DONG PHARMACEUTICAL CO., LTD. (KR) 2021-04-27 US disclosed
US-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF IL DONG PHARMACEUTICAL CO., LTD. (KR) 2020-04-16 US disclosed
CN-110678450-A Isoxazole derivatives as nuclear receptor agonists and uses thereof 日东制药株式会社 2020-01-10 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 (9 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-20200115349-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 TPMT 2768/4885MEN1 4650/4885KMT2A 4102/4885
US-11866414-B2 Substituted heterocyclic compounds TYK2, JAK2, STAT3 TPMT 586/4885MEN1 2796/4885KMT2A 1488/4885
US-20250163004-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 TPMT 586/4885MEN1 2796/4885KMT2A 1488/4885
US-20220411384-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 TPMT 586/4885MEN1 2796/4885KMT2A 1488/4885
US-20210188790-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 TPMT 1941/4885MEN1 4826/4885KMT2A 4226/4885
US-10988449-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 TPMT 2768/4885MEN1 4650/4885KMT2A 4102/4885
US-20240262799-A1 ISOXAZOLE DERIVATIVES AS NUCLEAR RECEPTOR AGONISTS AND USES THEREOF NR1H4, NR1H3, NR1H2 TPMT 1957/4885MEN1 4783/4885KMT2A 4713/4885
US-11912674-B2 Isoxazole derivatives as nuclear receptor agonists and uses thereof NR1H4, NR1H3, NR1H2 TPMT 1941/4885MEN1 4826/4885KMT2A 4226/4885
US-20240190829-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS TYK2, JAK2, STAT3 TPMT 586/4885MEN1 2796/4885KMT2A 1488/4885

“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.