SCHEMBL21155169

SCHEMBL21155169

O=[N+]([O-])c1ccncc1-c1cc2sc3ccccc3c2c2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 5/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MGAM O43451 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ SI P14410 1/20 0.34
▸ MGAM2 Q2M2H8 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL16231228 0.84 ALDH1A1 (0.44) ALDH1A1MAPTTDP1LMNAMGAM
SCHEMBL18647156 0.79 GABRA1 (0.39) MAPTCYP19A1LMNAERN1
SCHEMBL19660663 0.78 ALDH1A1 (0.41) ALDH1A1CYP19A1TDP1ERN1MEN1
SCHEMBL21155159 0.78 ALDH1A1 (0.43) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL21155439 0.76 MAPT (0.38) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL21155836 0.76 MAPT (0.47) ALDH1A1MAPTL3MBTL1SMN1; SMN2TDP1
SCHEMBL16856147 0.75 TDP1 (0.43) ALDH1A1MAPTTDP1LMNAMGAM
SCHEMBL18688163 0.73 MAOB (0.40) ALDH1A1MAPTSMN1; SMN2TDP1LMNA
SCHEMBL15126830 0.73 HPRT1 (0.43) ALDH1A1MAPTCYP19A1L3MBTL1TDP1
SCHEMBL24768788 0.73 CYP19A1 (0.38) ALDH1A1MAPTCYP19A1SMN1; SMN2TDP1

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 506/4885MAPT 2010/4885CYP19A1 728/4885

“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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