SCHEMBL31512648

SCHEMBL31512648

O=Cc1ccc2c(c1)Oc1ccc(C(F)(F)F)cc1N2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 1/20 0.49
▸ JUN P05412 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ ALOX5 P09917 7/20 0.39
▸ ALDH1A1 P00352 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ NOX1 Q9Y5S8 2/20 0.35
▸ CYBB P04839 1/20 0.35
▸ NOX3 Q9HBY0 1/20 0.35
▸ NOX4 Q9NPH5 1/20 0.35
▸ KIF11 P52732 1/20 0.35
▸ PIM1 P11309 2/20 0.33
▸ PIM2 Q9P1W9 2/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL27344515 0.94 ACE2 (0.49) ACE2JUNNFKB1NFKB2RELA
SCHEMBL31512645 0.93 ACE2 (0.40) ACE2JUNNFKB1NFKB2RELA
SCHEMBL31512628 0.84 ACE2 (0.44) ACE2JUNNFKB1NFKB2RELA
SCHEMBL27344294 0.82 ALDH1A1 (0.47) ALOX5ALDH1A1HSD17B10TDP1KIF11
SCHEMBL30811558 0.82 ALDH1A1 (0.47) ALOX5ALDH1A1HSD17B10TDP1KIF11
SCHEMBL27344284 0.78 ACE2 (0.49) ACE2JUNNFKB1NFKB2RELA
SCHEMBL30811571 0.78 ACE2 (0.49) ACE2JUNNFKB1NFKB2RELA
SCHEMBL27344291 0.78 ACE2 (0.49) ACE2JUNNFKB1NFKB2RELA
SCHEMBL18448706 0.78 ACE2 (0.45) ACE2JUNNFKB1NFKB2RELA
SCHEMBL31512642 0.78 ACE2 (0.38) ACE2JUNNFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250326726-A1 FERROPTOSIS INHIBITORS-PHENOXAZINE ACETAMIDES SIRONAX BEIJING CO LTD (CN) 2025-10-23 — — US disclosed
CN-119866332-A Iron death inhibitor-phenoxazine acetamides 维泰瑞隆(北京)生物科技有限公司 2025-04-22 — — 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-20250326726-A1 FERROPTOSIS INHIBITORS-PHENOXAZINE ACETAMIDES AIFM2, GPX4, FECH ACE2 1392/4885JUN 2760/4885NFKB1 1763/4885

“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.

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