SCHEMBL21155437

SCHEMBL21155437

C[S+]([O-])c1ccccc1-c1ccc(-c2ccccc2[N+](=O)[O-])c2cccnc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.44
▸ ALDH1A1 P00352 9/20 0.44
▸ MEN1 O00255 6/20 0.44
▸ KMT2A Q03164 6/20 0.44
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ CTSB P07858 4/20 0.42
▸ PDE10A Q9Y233 1/20 0.42
▸ KDM4E B2RXH2 5/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ TDO2 P48775 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ DRD2 P14416 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
SCHEMBL18042332 0.87 ALDH1A1 (0.55) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21155164 0.85 POLB (0.41) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL19974127 0.81 TXNRD1 (0.46) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21155162 0.80 ALDH1A1 (0.41) ALDH1A1MEN1KMT2AL3MBTL1TDP1
SCHEMBL21155893 0.80 MGAM (0.41) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21155161 0.80 MAPT (0.45) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL21155899 0.77 MEN1 (0.50) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL19051828 0.73 MAPT (0.71) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL16582329 0.72 ALDH1A1 (0.63) MAPTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL17997972 0.72 PDE10A (0.73) MAPTALDH1A1MEN1KMT2AL3MBTL1

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 MAPT 2010/4885ALDH1A1 506/4885MEN1 3510/4885

“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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