SCHEMBL25196222

SCHEMBL25196222

CC(C)(C)Nc1ccc(Nc2ccc(C=O)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2A6 P11509 4/20 0.41
▸ ALDH1A1 P00352 6/20 0.39
▸ ALDH1A3 P47895 2/20 0.39
▸ ALDH3A1 P30838 1/20 0.39
▸ ADRB2 P07550 1/20 0.38
▸ ADRB1 P08588 1/20 0.38
▸ ADRB3 P13945 1/20 0.38
▸ TYR P14679 1/20 0.38
▸ CYP2A13 Q16696 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALDH5A1 P51649 1/20 0.37
▸ ABAT P80404 1/20 0.37
▸ CA12 O43570 1/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ EPHX2 P34913 1/20 0.34

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
SCHEMBL7284930 0.94 CYP2A6 (0.46) CYP2A6ALDH1A1ALDH1A3ALDH3A1ADRB2
SCHEMBL7554959 0.82 CYP2A6 (0.50) CYP2A6ALDH1A1ALDH1A3ALDH3A1TYR
SCHEMBL14939968 0.78 ALDH1A1 (0.42) CYP2A6ALDH1A1ALDH1A3ALDH3A1ADRB2
Benzene SCHEMBL7586028 0.78 ALDH1A1 (0.57) CYP2A6ALDH1A1TYRCYP2A13GAA
SCHEMBL8674984 0.78 CYP2A6 (0.43) CYP2A6ALDH1A1ALDH1A3ALDH3A1ADRB2
SCHEMBL8725254 0.77 EGFR (0.40) CYP2A6ALDH1A1ALDH1A3ALDH3A1ADRB2
SCHEMBL9131202 0.76 DRD1 (0.45) CYP2A6ALDH1A1TYRCYP2A13GAA
SCHEMBL28935765 0.76 ALDH1A1 (0.40) CYP2A6ALDH1A1ALDH1A3ALDH3A1ADRB2
SCHEMBL25190810 0.76 ALDH1A1 (0.43) ALDH1A1GAAMEN1KMT2ANPC1
SCHEMBL4603900 0.75 IDO1 (0.39) ALDH1A1GAAHSD17B10CA12CA1

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
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 — — CN disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 — — US disclosed
US-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES Sironax Ltd. (KY) 2023-05-25 — — US disclosed
CN-115151252-A Iron death inhibitors diarylamine para-acetamides 维泰瑞隆有限公司 2022-10-04 — — 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-20230159492-A1 FERROPTOSIS INHIBITORS - DIARYLAMINE PARA-ACETAMIDES AIFM2, FECH, GPX4 CYP2A6 3493/4885ALDH1A1 395/4885ALDH1A3 406/4885

“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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