SCHEMBL6498221

SCHEMBL6498221

CCN(CC)CCn1c(=O)c(-c2ccccc2)[n+]([O-])c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 4/20 0.55
KDM4E B2RXH2 3/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TOP2A P11388 1/20 0.46
CISD1 Q9NZ45 1/20 0.44
HIF1A Q16665 1/20 0.44
HPGD P15428 1/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
MLNR O43193 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADRA1A P35348 1/20 0.43

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
SCHEMBL1966502 0.73 PKM (0.64) KMT2AMEN1KDM4EALDH1A1TOP2A
SCHEMBL7735156 0.71 KDM4E (0.74) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7416308 0.68 ALDH1A1 (0.60) KMT2AMEN1KDM4ECASP1CASP7
SCHEMBL11736890 0.67 G6PD (0.63) KMT2AMEN1SMN1; SMN2TOP2AHIF1A
SCHEMBL1963729 0.67 CFTR (0.57) KDM4EALDH1A1TOP2AHPGDPKM
SCHEMBL10703956 0.66 SLC6A4 (0.78) KDM4EALDH1A1SMN1; SMN2TOP2AHIF1A
Hydrochloric Acid SCHEMBL11730203 0.66 G6PD (0.62) KMT2AMEN1SMN1; SMN2TOP2AHIF1A
SCHEMBL2334457 0.65 POLB (0.63) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7331277 0.64 KDM4E (0.46) KMT2AMEN1KDM4ECASP1CASP7
SCHEMBL7550755 0.64 CASR (0.64) KMT2AMEN1ALDH1A1SMN1; SMN2TOP2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US claimed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 US claimed
US-6916805-B2 Quinoxalinones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-07-12 US disclosed
US-20020086866-A1 Quinoxalinones as serine protease inhibitors DUDLEY DANETTE ANDREA (US) 2002-07-04 US disclosed
US-6410536-B1 ANTICOAGULANTS WARNER-LAMBERT COMPANY 2002-06-25 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-20020086866-A1 Quinoxalinones as serine protease inhibitors HABP2, SERPINB1, PRSS1 KMT2A 2517/4885MEN1 1976/4885KDM4E 1273/4885

“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.