SCHEMBL6325991

SCHEMBL6325991

CCCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
NPSR1 Q6W5P4 3/20 0.60
GAA P10253 2/20 0.60
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP3A4 P08684 1/20 0.57
MAPT P10636 1/20 0.55
POLB P06746 2/20 0.54
TRPM8 Q7Z2W7 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
TP53 P04637 1/20 0.50
ADRB2 P07550 1/20 0.49
ATM Q13315 1/20 0.49
ADRA2C P18825 1/20 0.49
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
HTT P42858 1/20 0.47
CYP1A2 P05177 1/20 0.47

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
SCHEMBL24497003 0.83 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL7789901 0.82 TP53 (0.55) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL9001628 0.81 ADRA2C (0.71) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL6323267 0.80 ALDH1A1 (0.59) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL9509458 0.79 TP53 (0.65) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL28476636 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL9167379 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL11529803 0.78 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL10525429 0.77 ALDH1A1 (0.72) ALDH1A1MEN1KMT2ATRPM8SMN1; SMN2
SCHEMBL15291404 0.76 ADRA2C (0.67) ALDH1A1MEN1KMT2AGAACYP2C9

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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 ALDH1A1 155/4885MEN1 1004/4885KMT2A 4128/4885

“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.