SCHEMBL11529396

SCHEMBL11529396

COC(=O)c1ccc(Nc2cccc(N)c2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
AKR1C3 P42330 3/20 0.61
AKR1C2 P52895 3/20 0.61
AKR1C4 P17516 2/20 0.61
AKR1C1 Q04828 2/20 0.61
HPGD P15428 2/20 0.61
HCAR3 P49019 1/20 0.56
AKR1B10 O60218 1/20 0.56
AKR1B1 P15121 1/20 0.56
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
LMNA P02545 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 2/20 0.53
ATM Q13315 1/20 0.53
GAA P10253 1/20 0.53
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL15021452 0.87 MAPT (0.63) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL11528981 0.86 HCAR3 (0.76) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL11514669 0.86 MAPT (0.60) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL12089421 0.86 HCAR3 (0.75) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL23675257 0.86 MAPT (0.61) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL13063908 0.86 MAPT (0.61) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL8233274 0.86 MAPT (0.61) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL2642063 0.83 MAPT (0.51) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL29703156 0.82 MAPT (0.66) MAPTAKR1C3AKR1C2AKR1C4AKR1C1
SCHEMBL25351608 0.82 MAPT (0.66) MAPTAKR1C3AKR1C2AKR1C4AKR1C1

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
US-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-06-04 US disclosed
US-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-06-04 US disclosed
US-4145342-A NITRO-DIPHENYLAMINO-AZO-PHENYL DYESTUFFS CONTAINING A POLYALKYENEOXY GROUP BAYER AKTIENGESELLSCHAFT (DE) 1979-03-20 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-20150152083-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 MAPT 2924/4885AKR1C3 4247/4885AKR1C2 4188/4885

“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.