SCHEMBL21155893

SCHEMBL21155893

C[S+]([O-])c1ccccc1-c1ccc(-c2ccccc2[N+](=O)[O-])c2nc3ccccc3nc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SI P14410 2/20 0.41
▸ MGAM2 Q2M2H8 2/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ MAPT P10636 2/20 0.40
▸ GUSB P08236 1/20 0.40
▸ F2 P00734 1/20 0.40
▸ C1R P00736 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ KLK3 P07288 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ CFTR P13569 1/20 0.36
▸ NQO2 P16083 1/20 0.35

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
SCHEMBL21155899 0.86 MEN1 (0.50) MGAMGAASIMGAM2MEN1
SCHEMBL19974127 0.85 TXNRD1 (0.46) MGAMGAASIMGAM2MEN1
SCHEMBL21155162 0.84 ALDH1A1 (0.41) MGAMGAASIMGAM2MEN1
SCHEMBL21155437 0.80 MAPT (0.44) GAAMEN1KMT2AMAPTALDH1A1
SCHEMBL21155431 0.78 NQO2 (0.48) MGAMGAASIMGAM2MEN1
SCHEMBL21155158 0.77 KMT2A (0.41) MGAMGAASIMGAM2MEN1
SCHEMBL21155164 0.77 POLB (0.41) GAAMEN1KMT2AMAPTGUSB
SCHEMBL21155892 0.76 ALDH1A1 (0.39) MGAMGAASIMGAM2MEN1
SCHEMBL16919574 0.75 TDP1 (0.42) MGAMGAASIMGAM2KMT2A
SCHEMBL10452725 0.73 ALDH1A1 (0.55) MGAMGAASIMGAM2MEN1

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 MGAM 3463/4885GAA 2948/4885SI 4502/4885

“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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