SCHEMBL5449804

SCHEMBL5449804

CN1CCN(c2ccc([N+](=O)[O-])c3ncccc23)CC1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 13/20 0.63
SMN1; SMN2 Q16637 5/20 0.63
HTT P42858 2/20 0.63
RAB9A P51151 2/20 0.63
TNNI3 P19429 1/20 0.63
TNNT2 P45379 1/20 0.63
TNNC1 P63316 1/20 0.63
MITF O75030 1/20 0.63
MTOR P42345 1/20 0.63
SIRT2 Q8IXJ6 1/20 0.63
LMNA P02545 4/20 0.62
MAPK1 P28482 3/20 0.62
KDM4E B2RXH2 3/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CTSB P07858 1/20 0.60
NPSR1 Q6W5P4 2/20 0.55
PSMD14 O00487 1/20 0.55

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
SCHEMBL3627022 0.90 MAPT (0.79) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6264295 0.90 MAPT (0.79) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL6320708 0.85 MAPT (0.81) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL5440898 0.85 CTSB (0.67) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL29741465 0.85 MAPT (0.81) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL24715880 0.81 MAPT (0.55) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL28520810 0.81 MTOR (0.64) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL22858551 0.81 CTSB (0.75) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL29577374 0.81 CTSB (0.75) ALDH1A1KMT2AMAPTSMN1; SMN2HTT
SCHEMBL24701133 0.80 MTOR (0.83) ALDH1A1KMT2AMAPTSMN1; SMN2HTT

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 ALDH1A1 1480/4885KMT2A 4653/4885MAPT 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.