SCHEMBL21155900

SCHEMBL21155900

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.51
▸ NCOA1 Q15788 1/20 0.48
▸ NCOA3 Q9Y6Q9 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 7/20 0.43
▸ KMT2A Q03164 7/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ S1PR4 O95977 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ PDE10A Q9Y233 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 3/20 0.42

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
SCHEMBL21155432 0.90 POLB (0.42) POLBNCOA1NCOA3ALDH1A1MAPT
SCHEMBL21155164 0.89 POLB (0.41) POLBNCOA1NCOA3ALDH1A1MAPT
SCHEMBL21155177 0.81 POLB (0.43) POLBNCOA1NCOA3ALDH1A1MAPT
SCHEMBL18042332 0.80 ALDH1A1 (0.55) POLBNCOA1NCOA3ALDH1A1MAPT
SCHEMBL17997972 0.73 PDE10A (0.73) POLBALDH1A1MAPTL3MBTL1TSHR
SCHEMBL16582329 0.73 ALDH1A1 (0.63) ALDH1A1MAPTL3MBTL1CYP1A2MEN1
SCHEMBL18748158 0.71 PDE10A (0.65) POLBALDH1A1MAPTL3MBTL1TSHR
SCHEMBL19051828 0.71 MAPT (0.71) POLBALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL16546996 0.71 MAPT (0.67) POLBALDH1A1MAPTL3MBTL1CYP1A2
SCHEMBL21155161 0.71 MAPT (0.45) POLBALDH1A1MAPTL3MBTL1MEN1

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.

Send feedback