SCHEMBL22451521

SCHEMBL22451521

O=C1CNC(=O)c2cc(O)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
ESR2 Q92731 3/20 0.47
UGT1A1 P22309 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
HPGD P15428 1/20 0.46
APEX1 P27695 1/20 0.46
KMT2A Q03164 1/20 0.46
PBRM1 Q86U86 1/20 0.44
PRKCI P41743 1/20 0.42
CA9 Q16790 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
AURKA O14965 1/20 0.40
CDK1 P06493 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL29853505 0.81 CA9 (0.44) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL26775387 0.81 CA9 (0.44) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL8505406 0.78 PBRM1 (0.46) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL29584703 0.78 NTRK2 (0.56) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL4499446 0.78 NTRK2 (0.56) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL618639 0.78 CA12 (0.53) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL13264631 0.78 MAOA (0.43) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL12240926 0.77 PARP10 (0.51) MAOAMAOBCA9CA1CA2
SCHEMBL26775546 0.76 GRM5 (0.43) ESR1MAOAMAOBESR2UGT1A1
SCHEMBL26775543 0.74 CLK4 (0.46) ESR1MAOAMAOBESR2UGT1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200299306-A1 COMPOUNDS WITH A BENZO[A]CARBAZOLE STRUCTURE AND USE THEREOF UNIVERSITA' DI PISA (IT) 2020-09-24 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-20200299306-A1 COMPOUNDS WITH A BENZO[A]CARBAZOLE STRUCTURE AND USE THEREOF MKI67, CCNI, CASP3 ESR1 1646/4885MAOA 708/4885MAOB 487/4885

“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.