SCHEMBL19988780

SCHEMBL19988780

Brc1ccc(Br)c2nc3ccccc3nc12

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 13/20 0.75
MAPT P10636 3/20 0.53
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL16862371 0.87 NQO2 (1.00) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL10601015 0.82 NQO2 (0.61) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL16862425 0.82 NQO2 (1.00) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL29262805 0.79 NQO2 (0.57) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL3258086 0.79 NQO2 (0.59) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL29581806 0.78 MAPT (0.71) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL2246928 0.78 MAPT (0.71) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL29402115 0.78 MAPT (0.71) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL24276712 0.78 NQO2 (0.50) NQO2MAPTALDH1A1GAARAB9A
SCHEMBL12657684 0.76 NQO2 (0.46) NQO2

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 3 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
WO-2018050583-A1 COMPOUNDS WITH CARBAZOLE STRUCTURES MERCK PATENT GMBH (DE) 2018-03-22 WO 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 NQO2 113/4885MAPT 2010/4885ALDH1A1 506/4885

“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.