SCHEMBL30405682

SCHEMBL30405682

[2H]C([2H])([2H])c1ccc(C(=O)O)nc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
DHODH Q02127 8/20 0.40
PTGER1 P34995 2/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
ACMSD Q8TDX5 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
P4HTM Q9NXG6 3/20 0.38
SCN9A Q15858 2/20 0.38
KMO O15229 1/20 0.37
CTSA P10619 1/20 0.36
ECE1 P42892 1/20 0.36

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
SCHEMBL28988576 0.79 BCL2L1 (0.46) BCL2L1BADDHODHPTGER1KDM4E
SCHEMBL25256887 0.76 PPP1CA (0.47) BCL2L1BADDHODHPTGER1KDM4E
SCHEMBL30405683 0.76 DHODH (0.42) BCL2L1BADDHODHPTGER1KDM4E
SCHEMBL28988562 0.76 SCN9A (0.40) BCL2L1BADDHODHPTGER1KDM4E
SCHEMBL25285978 0.76 CTSA (0.56) KDM4ECTSAECE1
SCHEMBL25286054 0.76 DHODH (0.42) BCL2L1BADDHODHPTGER1KDM4E
SCHEMBL28988556 0.75 PTGS2 (0.41) BCL2L1BAD
SCHEMBL2636731 0.72 P4HTM (0.57) BCL2L1BADKDM4EP4HTM
SCHEMBL29928830 0.72 P4HTM (0.57) BCL2L1BADKDM4EP4HTM
SCHEMBL25247333 0.72 KDM4E (0.42) BCL2L1BADDHODHKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250092033-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Beijing Avistone Biotechnology Co., Ltd. (CN) 2025-03-20 US disclosed
EP-4458818-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF Beijing Avistone Biotechnology Co., Ltd. (CN) 2024-11-06 EP disclosed
CN-116003406-B Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2024-01-23 CN disclosed
CN-116003406-A Heteroaryl ring nitroxide compound and preparation method and application thereof 北京鞍石生物科技有限责任公司 2023-04-25 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 (1 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-20250092033-A1 HETEROAROMATIC NITROGEN-OXIDE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF CYP19A1, WEE1, WEE2 BCL2L1 937/4885BAD 1858/4885DHODH 1635/4885

“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.