SCHEMBL21155836

SCHEMBL21155836

O=[N+]([O-])c1ccccc1-c1cc2sc3ccccc3c2c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.47
▸ ALDH1A1 P00352 10/20 0.47
▸ L3MBTL1 Q9Y468 5/20 0.47
▸ MEN1 O00255 10/20 0.44
▸ KMT2A Q03164 10/20 0.44
▸ KDM4E B2RXH2 8/20 0.44
▸ GAA P10253 3/20 0.44
▸ CTSB P07858 2/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ TDO2 P48775 2/20 0.44
▸ PDE10A Q9Y233 1/20 0.42
▸ LMNA P02545 5/20 0.41
▸ TDP1 Q9NUW8 5/20 0.41
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ HTT P42858 4/20 0.41
▸ HSP90AA1 P07900 2/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ CASP6 P55212 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ BRD4 O60885 1/20 0.41

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
SCHEMBL21155177 0.86 POLB (0.43) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL16231228 0.85 ALDH1A1 (0.44) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL21114912 0.82 TXNRD1 (0.42) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21155172 0.81 KMT2A (0.43) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21155838 0.81 ALDH1A1 (0.38) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21155159 0.81 ALDH1A1 (0.43) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21155439 0.79 MAPT (0.38) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL19051828 0.78 MAPT (0.71) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL21155840 0.78 MEN1 (0.46) MAPTALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL18416509 0.77 ALDH1A1 (0.45) MAPTALDH1A1L3MBTL1MEN1KMT2A

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-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 MAPT 2010/4885ALDH1A1 506/4885L3MBTL1 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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