SCHEMBL21155436

SCHEMBL21155436

O=[N+]([O-])c1ccccc1-c1cc2sc3ccccc3c2c2c1nc(-c1ccccc1)n2-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ HTT P42858 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ EIF4E P06730 6/20 0.35
▸ POLB P06746 2/20 0.35
▸ MEN1 O00255 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ GUSB P08236 1/20 0.34
▸ F2 P00734 1/20 0.34
▸ C1R P00736 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ MAOB P27338 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ AHR P35869 1/20 0.32
▸ MGAM O43451 1/20 0.32
▸ GAA P10253 1/20 0.32

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
SCHEMBL21155840 0.79 MEN1 (0.46) ALDH1A1HTTTDP1EIF4EPOLB
SCHEMBL29959680 0.76 ALDH1A1 (0.50) ALDH1A1HTTSIRT2TDP1POLB
SCHEMBL26693461 0.76 ALDH1A1 (0.50) ALDH1A1HTTSIRT2TDP1POLB
SCHEMBL21155155 0.75 ALDH1A1 (0.43) ALDH1A1HTTSIRT2TDP1EIF4E
SCHEMBL21155172 0.75 KMT2A (0.43) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL16352575 0.74 ALDH1A1 (0.40) ALDH1A1HTTSIRT2TDP1EIF4E
SCHEMBL15797192 0.74 ALDH1A1 (0.45) ALDH1A1HTTSIRT2TDP1POLB
SCHEMBL16231228 0.74 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2AGUSB
SCHEMBL21114912 0.74 TXNRD1 (0.42) ALDH1A1TDP1MEN1KMT2AGUSB
SCHEMBL21155838 0.73 ALDH1A1 (0.38) ALDH1A1HTTTDP1MEN1KMT2A

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 506/4885HTT 695/4885SIRT2 676/4885

“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