SCHEMBL21155159

SCHEMBL21155159

O=[N+]([O-])c1cccnc1-c1cc2sc3ccccc3c2c2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.43
▸ MAPT P10636 7/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ POLB P06746 3/20 0.43
▸ MEN1 O00255 8/20 0.40
▸ KMT2A Q03164 8/20 0.40
▸ KDM4E B2RXH2 5/20 0.40
▸ CTSB P07858 2/20 0.40
▸ IDO1 P14902 2/20 0.40
▸ TDO2 P48775 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NCOA1 Q15788 1/20 0.40
▸ NCOA3 Q9Y6Q9 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.38
▸ LMNA P02545 4/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ TDP1 Q9NUW8 4/20 0.37
▸ HTT P42858 3/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ OPRK1 P41145 2/20 0.37

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
SCHEMBL16231228 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL21155439 0.81 MAPT (0.38) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL21155836 0.81 MAPT (0.47) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL13556883 0.80 POLB (0.53) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL15318845 0.79 POLB (0.47) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL15318797 0.79 POLB (0.43) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL21155169 0.78 ALDH1A1 (0.39) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL21155177 0.77 POLB (0.43) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL19988705 0.75 GABRA1 (0.47) ALDH1A1MAPTL3MBTL1POLBMEN1
SCHEMBL18647156 0.73 GABRA1 (0.39) MAPTCTSBIDO1LMNAHPGD

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 506/4885MAPT 2010/4885L3MBTL1 4160/4885

“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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