SCHEMBL25310326

SCHEMBL25310326

COC(=O)C(C)Nc1c(F)cc(Br)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
GAA P10253 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ERN1 O75460 1/20 0.34
HCAR3 P49019 2/20 0.34
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL31474219 1.00 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL30979300 0.86 L3MBTL1 (0.39) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL25307791 0.84 KMT2A (0.39) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL25380351 0.82 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL28537725 0.78 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL28529013 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL18304994 0.77 ALDH1A1 (0.38) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL29215523 0.76 PDGFRB (0.41) ALDH1A1KMT2AMEN1MAPTCYP1A2
SCHEMBL31474310 0.76 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTGAA
SCHEMBL29215568 0.76 KMT2A (0.47) ALDH1A1KMT2AMEN1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4466269-A1 PARP1 INHIBITORS AND USES THEREOF Xinthera, Inc. (US) 2024-11-27 EP disclosed
US-20240368162-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2024-11-07 US disclosed
CN-118076597-A Azaquinolinone derivative, preparation method and application thereof 成都苑东生物制药股份有限公司 2024-05-24 CN disclosed
US-11939329-B2 PARP1 inhibitors and uses thereof XINTHERA, INC. (US) 2024-03-26 US disclosed
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-07-27 US disclosed
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. 2023-07-27 US disclosed
WO-2023141290-A1 PARP1 INHIBITORS AND USES THEREOF XINTHERA, INC. (US) 2023-07-27 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-11939329-B2 PARP1 inhibitors and uses thereof PARP1, PARP11, PARP12 ALDH1A1 1913/4885KMT2A 944/4885MEN1 3207/4885
US-20230234952-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 ALDH1A1 1913/4885KMT2A 944/4885MEN1 3207/4885
US-20240368162-A1 PARP1 INHIBITORS AND USES THEREOF PARP1, PARP11, PARP12 ALDH1A1 1913/4885KMT2A 944/4885MEN1 3207/4885

“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.