SCHEMBL21068952

SCHEMBL21068952

O=Cc1c(F)cc([N+](=O)[O-])cc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.44
ALDH1A1 P00352 6/20 0.44
HIF1A Q16665 2/20 0.44
TSHR P16473 2/20 0.41
ERN1 O75460 2/20 0.40
KMT2A Q03164 3/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TTR P02766 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
RECQL P46063 1/20 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
SCHEMBL12725905 0.78 ERN1 (0.49) CYP19A1ALDH1A1HIF1ATSHRERN1
SCHEMBL239666 0.77 CYP19A1 (0.52) CYP19A1ALDH1A1HIF1ATSHRKMT2A
SCHEMBL2824579 0.76 ALDH1A1 (0.50) CYP19A1ALDH1A1HIF1ATSHRKMT2A
SCHEMBL8169950 0.75 ERN1 (0.59) ALDH1A1HIF1AERN1KMT2AHTT
SCHEMBL2548910 0.75 CYP19A1 (0.50) CYP19A1ALDH1A1HIF1ATSHRKMT2A
SCHEMBL22163902 0.74 MAPT (0.45) ALDH1A1HIF1AKMT2AMEN1TDP1
SCHEMBL7310925 0.74 TSHR (0.52) CYP19A1ALDH1A1TSHRERN1KMT2A
SCHEMBL8484182 0.74 ALDH1A1 (0.61) CYP19A1ALDH1A1TSHRERN1KMT2A
SCHEMBL28629307 0.74 CYP19A1 (0.44) CYP19A1ALDH1A1HIF1ATSHRERN1
SCHEMBL28948912 0.74 ALDH1A1 (0.52) CYP19A1ALDH1A1TSHRERN1KMT2A

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
EP-4551571-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF Libra Therapeutics, Inc. (US) 2025-05-14 EP disclosed
CN-119790050-A Oxazole TRPML1 agonists and uses thereof 利布拉医疗公司 2025-04-08 CN disclosed
US-12098145-B2 Oxazole TRPML1 agonists and uses thereof LIBRA THERAPEUTICS, INC. (US) 2024-09-24 US disclosed
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. 2024-05-16 US disclosed
WO-2024011155-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF LIBRA THERAPEUTICS, INC. (US) 2024-01-11 WO disclosed
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US 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-12098145-B2 Oxazole TRPML1 agonists and uses thereof TRPM7, TRPM2, TRPM5 CYP19A1 3407/4885ALDH1A1 1854/4885HIF1A 2814/4885
US-20240158381-A1 OXAZOLE TRPML1 AGONISTS AND USES THEREOF TRPM7, TRPM2, TRPM5 CYP19A1 3978/4885ALDH1A1 2066/4885HIF1A 2933/4885
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 CYP19A1 59/4885ALDH1A1 333/4885HIF1A 2946/4885

“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.