SCHEMBL21155164

SCHEMBL21155164

C[S+]([O-])c1ccccc1-c1ccc(-c2ccccc2[N+](=O)[O-])c2c1ncc1ncccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ MAPT P10636 5/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ XBP1 P17861 1/20 0.36
▸ S1PR1 P21453 1/20 0.36
▸ CCR6 P51684 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ RAB9A P51151 2/20 0.36

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
SCHEMBL21155900 0.89 POLB (0.51) POLBNCOA1NCOA3MEN1KMT2A
SCHEMBL21155437 0.85 MAPT (0.44) POLBNCOA1NCOA3MEN1KMT2A
SCHEMBL21155432 0.82 POLB (0.42) POLBNCOA1NCOA3MEN1KMT2A
SCHEMBL21155893 0.77 MGAM (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL19974127 0.76 TXNRD1 (0.46) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL21155162 0.75 ALDH1A1 (0.41) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21155177 0.72 POLB (0.43) POLBNCOA1NCOA3MEN1KMT2A
SCHEMBL21155899 0.72 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL18042332 0.71 ALDH1A1 (0.55) POLBNCOA1NCOA3MEN1KMT2A
SCHEMBL16919574 0.66 TDP1 (0.42) KMT2AALDH1A1MAPTSMN1; SMN2CYP1A2

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 POLB 1544/4885NCOA1 1431/4885NCOA3 242/4885

“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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