SCHEMBL21155162

SCHEMBL21155162

C[S+]([O-])c1ccccc1-c1ccc(-c2ccccc2[N+](=O)[O-])c2nonc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MYC P01106 2/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ MGAM O43451 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ GSTP1 P09211 4/20 0.39
▸ GSTM2 P28161 4/20 0.39
▸ IDO1 P14902 2/20 0.39

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
SCHEMBL19974127 0.85 TXNRD1 (0.46) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL21155893 0.84 MGAM (0.41) ALDH1A1HSD17B10MEN1KMT2ATDP1
SCHEMBL21155899 0.81 MEN1 (0.50) ALDH1A1MEN1KMT2ATDP1GAA
SCHEMBL21155437 0.80 MAPT (0.44) ALDH1A1ALOX12CYP2C19MEN1KMT2A
SCHEMBL22665548 0.78 ALDH1A1 (0.38) ALDH1A1HPGDHSD17B10GAAIDO1
SCHEMBL21155818 0.77 GSTP1 (0.45) ALDH1A1CYP2D6CYP2C9HPGDALOX15
SCHEMBL21155164 0.75 POLB (0.41) ALDH1A1HPGDALOX12MEN1KMT2A
SCHEMBL16919574 0.75 TDP1 (0.42) ALDH1A1CYP2D6CYP2C9CYP2C19HIF1A
SCHEMBL21155892 0.73 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ATDP1GAA
SCHEMBL10452725 0.73 ALDH1A1 (0.55) ALDH1A1CYP2D6CYP2C9HPGDCYP2C19

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 506/4885CYP2D6 82/4885CYP2C9 28/4885

“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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