SCHEMBL5447146

SCHEMBL5447146

O=[N+]([O-])c1ccc(Oc2ccccc2)c2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.57
ALDH1A1 P00352 10/20 0.57
MAPT P10636 10/20 0.57
MEN1 O00255 9/20 0.57
LMNA P02545 5/20 0.57
GAA P10253 5/20 0.53
TDP1 Q9NUW8 5/20 0.50
KDM4E B2RXH2 4/20 0.50
HTT P42858 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
CTSB P07858 2/20 0.50
TTR P02766 1/20 0.50
ALB P02768 1/20 0.50
THRB P10828 1/20 0.50
BRD4 O60885 1/20 0.50
HSP90AA1 P07900 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 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
SCHEMBL12154377 0.89 MEN1 (0.57) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL26964168 0.82 MAPT (0.47) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL29800743 0.82 MAPT (0.47) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL2469901 0.81 ALDH1A1 (0.61) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL11973409 0.81 KMT2A (0.55) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL15518138 0.78 ALDH1A1 (0.58) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL2580986 0.77 MEN1 (0.53) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL15179576 0.77 MEN1 (0.53) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL15179527 0.76 MEN1 (0.51) KMT2AALDH1A1MAPTMEN1LMNA
SCHEMBL21816812 0.75 MAPT (0.61) KMT2AALDH1A1MAPTMEN1LMNA

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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation KANE JOHN L JR 2007-11-01 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-20070254894-A1 Novel small molecules with selective cytotoxicity against human microvascular endothelial cell proliferation MKI67, VEGFA, KDR KMT2A 4653/4885ALDH1A1 1480/4885MAPT 4441/4885

“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.