SCHEMBL30106669

SCHEMBL30106669

CC1=C(Cc2ccc(N)nc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 1/20 0.62
▸ ALDH1A1 P00352 6/20 0.41
▸ LMNA P02545 6/20 0.41
▸ MAPT P10636 6/20 0.41
▸ KDM4E B2RXH2 5/20 0.41
▸ HTT P42858 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ MITF O75030 1/20 0.41
▸ S100A4 P26447 2/20 0.40
▸ CDC25A P30304 2/20 0.40
▸ CDC25B P30305 2/20 0.40
▸ GABRP O00591 1/20 0.40
▸ GABRD O14764 1/20 0.40
▸ GABRA1 P14867 1/20 0.40
▸ GABRB1 P18505 1/20 0.40
▸ GABRG2 P18507 1/20 0.40
▸ GABRB3 P28472 1/20 0.40

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
SCHEMBL30106679 0.85 TBXAS1 (0.61) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL30106674 0.83 TBXAS1 (0.62) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL30106673 0.83 TBXAS1 (0.62) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL30106700 0.81 TBXAS1 (0.62) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL30106659 0.81 TBXAS1 (0.59) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL12834662 0.80 TBXAS1 (0.57) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL31127499 0.80 TBXAS1 (0.58) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL30106634 0.79 TBXAS1 (0.61) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL30106651 0.77 TBXAS1 (0.58) TBXAS1ALDH1A1LMNAMAPTKDM4E
SCHEMBL12761935 0.77 TBXAS1 (0.60) TBXAS1ALDH1A1LMNAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240279184-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION UNIVERSITE DE HAUTE ALSACE (FR) 2024-08-22 — — US disclosed
EP-4347566-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION Centre National de la Recherche Scientifique (FR) 2024-04-10 — — EP disclosed
WO-2022254034-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2022-12-08 — — 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 (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-20240279184-A1 HETEROAROMATIC ANALOGUES OF 3-BENZYLMENADIONE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CYP1B1, CYP1A1, CYP2B6 TBXAS1 415/4885ALDH1A1 524/4885LMNA 850/4885

“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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