SCHEMBL31143623

SCHEMBL31143623

Cc1ccc2nc(N(C)C)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.59
▸ NCF1 P14598 1/20 0.57
▸ NCK1 P16333 1/20 0.55
▸ BACE1 P56817 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ GAA P10253 1/20 0.47
▸ CYP2A6 P11509 3/20 0.46
▸ APP P05067 2/20 0.41
▸ NQO2 P16083 1/20 0.41
▸ TERT O14746 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PSMB5 P28074 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ RAB9A P51151 1/20 0.39

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
SCHEMBL8275784 1.00 CYP1A2 (0.59) CYP1A2NCF1NCK1BACE1ALDH1A1
SCHEMBL23229346 0.86 NCF1 (0.59) CYP1A2NCF1NCK1BACE1ALDH1A1
SCHEMBL8273778 0.79 CYP1A2 (0.53) CYP1A2NCK1BACE1ALDH1A1KDM4E
SCHEMBL1500224 0.78 NCF1 (0.55) CYP1A2NCF1BACE1ALDH1A1KDM4E
SCHEMBL3221495 0.78 KDM4E (0.58) NCF1NCK1BACE1ALDH1A1KDM4E
SCHEMBL21864963 0.78 NCF1 (0.55) CYP1A2NCF1ALDH1A1APPTERT
SCHEMBL14288335 0.77 NCF1 (0.53) NCF1APPTERTPSMB5NPC1
SCHEMBL9420844 0.76 NCF1 (0.59) CYP1A2NCF1ALDH1A1KDM4EGAA
SCHEMBL30301243 0.76 NCF1 (0.59) CYP1A2NCF1ALDH1A1KDM4EGAA
SCHEMBL28946505 0.74 NCF1 (0.50) NCF1ALDH1A1KDM4EGAACYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12102631-B2 Quinolylnitrones for the treatment and prevention of a cerebral stroke or ischaemia CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2024-10-01 — — US 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-12102631-B2 Quinolylnitrones for the treatment and prevention of a cerebral stroke or ischaemia NLN, TXN2, TXN CYP1A2 1858/4885NCF1 565/4885NCK1 1953/4885

“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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