SCHEMBL21155155

SCHEMBL21155155

O=[N+]([O-])c1ccccc1-c1ccc(Br)c2c1nc(-c1ccccc1)n2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HTT P42858 1/20 0.39
▸ SIRT2 Q8IXJ6 2/20 0.39
▸ EIF4E P06730 5/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ FGFR1 P11362 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PI4K2B Q8TCG2 1/20 0.35
▸ PI4K2A Q9BTU6 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ MGAM O43451 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ SI P14410 1/20 0.35
▸ MGAM2 Q2M2H8 1/20 0.35
▸ DHFR P00374 1/20 0.35
▸ PKM P14618 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGS1 P23219 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
SCHEMBL16352513 0.83 ALDH1A1 (0.48) ALDH1A1TDP1HTTSIRT2EIF4E
SCHEMBL21155427 0.82 SIRT2 (0.40) ALDH1A1TDP1HTTSIRT2EIF4E
SCHEMBL21155892 0.81 ALDH1A1 (0.39) ALDH1A1TDP1HTTSIRT2EIF4E
SCHEMBL22665831 0.80 PI4KA (0.37) ALDH1A1HTTKMT2AMEN1PI4KA
SCHEMBL16352544 0.77 ALDH1A1 (0.41) ALDH1A1TDP1HTTSIRT2KMT2A
SCHEMBL19988571 0.77 PI4KA (0.47) ALDH1A1HTTKMT2AMEN1PI4KA
SCHEMBL16352570 0.76 DCTPP1 (0.44) ALDH1A1TDP1HTTSIRT2EIF4E
SCHEMBL29959680 0.76 ALDH1A1 (0.50) ALDH1A1TDP1HTTSIRT2KMT2A
SCHEMBL15797192 0.76 ALDH1A1 (0.45) ALDH1A1TDP1HTTSIRT2KMT2A
SCHEMBL26693461 0.76 ALDH1A1 (0.50) ALDH1A1TDP1HTTSIRT2KMT2A

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 ALDH1A1 506/4885TDP1 1621/4885HTT 695/4885

“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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