SCHEMBL21155427

SCHEMBL21155427

CSc1ccccc1-c1ccc(-c2ccccc2[N+](=O)[O-])c2nc(-c3ccccc3)n(-c3ccccc3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTT P42858 2/20 0.39
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ EIF4E P06730 4/20 0.34
▸ MAOB P27338 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ HSD11B1 P28845 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ DCTPP1 Q9H773 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
SCHEMBL21155892 0.83 ALDH1A1 (0.39) SIRT2ALDH1A1TDP1HTTMGAM
SCHEMBL21155155 0.82 ALDH1A1 (0.43) SIRT2ALDH1A1TDP1HTTMGAM
SCHEMBL21155435 0.79 KMT2A (0.51) ALDH1A1TDP1MGAMGAASI
SCHEMBL16352513 0.77 ALDH1A1 (0.48) SIRT2ALDH1A1TDP1HTTMGAM
SCHEMBL21155158 0.75 KMT2A (0.41) ALDH1A1TDP1HTTMGAMGAA
SCHEMBL15797192 0.74 ALDH1A1 (0.45) SIRT2ALDH1A1TDP1HTTGAA
SCHEMBL19974109 0.73 TXNRD1 (0.46) ALDH1A1TDP1MGAMGAASI
SCHEMBL21155818 0.73 GSTP1 (0.45) ALDH1A1TDP1HTTKMT2AMAPT
SCHEMBL29959680 0.72 ALDH1A1 (0.50) SIRT2ALDH1A1TDP1HTTGAA
SCHEMBL26693461 0.72 ALDH1A1 (0.50) SIRT2ALDH1A1TDP1HTTGAA

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
EP-3512848-B1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2020-11-18 — — EP disclosed
US-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2019-07-11 — — 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-20190214574-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES CYCS, CYP3A4, CYP2E1 SIRT2 676/4885ALDH1A1 506/4885TDP1 1621/4885

“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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