SCHEMBL972269

SCHEMBL972269

COc1cc(F)cc(F)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.41
TDP1 Q9NUW8 5/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
MAPT P10636 3/20 0.41
BLM P54132 1/20 0.41
TTR P02766 1/20 0.40
KMT2A Q03164 2/20 0.40
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL25187742 0.90 PKM (0.45) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL27162901 0.84 ACHE (0.41) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL16052765 0.84 HTT (0.50) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL15400557 0.84 PKM (0.41) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL2435955 0.82 TTR (0.45) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL1675629 0.82 MAPT (0.43) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL21684842 0.81 HSPB1 (0.39) TDP1KDM4EGRIN2DGRIN3BGRIN1
SCHEMBL9167472 0.80 CYP4F2 (0.40) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL14592011 0.80 PKM (0.38) PKMTDP1KDM4EPOLBCTDSP1
SCHEMBL31285704 0.80 PTGS2 (0.46) PKMTDP1KDM4EPOLBCTDSP1

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 58 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
EP-3640248-B1 AMINOPYRIMIDINE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF BEIJING ADAMADLE BIOTECHNOLOGY LLC (CN) 2023-08-23 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof Beijing Adamadle Biotechnology Limited Liability Company (CN) 2022-06-07 US disclosed
CN-108707139-B Aminopyrimidine compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2021-04-06 CN disclosed
EP-3640248-A1 AMINOPYRIMIDINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Beijing Adamadle Biotechnology Limited Liability Company (CN) 2020-04-22 EP disclosed
US-20050176726-A1 Vanilloid receptor ligands and their use in treatments AMGEN, INC. 2005-08-11 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1144393-B1 BENZOXAZOLE DERIVATIVES FOR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2004-02-11 EP disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP disclosed
EP-1144393-A3 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-6441012-B1 BENZOXAZOLE OR BENZTHIAZOLE DERIVATIVES FOR INHIBITING THE INTERACTION BETWEEN CELLULAR ADHESION MOLECULES AND/OR FIBRONECTIN AND THE INTERGRIN RECEPTOR ASTRAZENECA AB (SE) 2002-08-27 US disclosed
EP-1144393-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR AstraZeneca AB (SE) 2001-10-17 EP disclosed
EP-1133484-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS AstraZeneca AB (SE) 2001-09-19 EP disclosed
WO-2000005223-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITORS ASTRAZENECA AB (SE) 2000-02-03 WO disclosed
WO-2000005224-A2 HETEROCYCLIC DERIVATIVES AND THEIR USE AS INTEGRIN INHIBITOR ASTRAZENECA AB (SE) 2000-02-03 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 (3 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-20050176726-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV3, TRPV2 PKM 3462/4885TDP1 1611/4885KDM4E 3417/4885
US-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 PKM 4697/4885TDP1 4666/4885KDM4E 1271/4885
US-11352352-B2 Aminopyrimidine compound, preparation method therefor and use thereof WEE1, WEE2, EGFR PKM 1079/4885TDP1 1580/4885KDM4E 2752/4885

“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.