SCHEMBL6324609

SCHEMBL6324609

O=C(c1ccc(-n2ccnc2)cc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
CYP19A1 P11511 4/20 0.59
CYP3A4 P08684 1/20 0.57
BAZ2B Q9UIF8 1/20 0.57
ADH5 P11766 1/20 0.55
HTT P42858 1/20 0.54
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52
HTR2B P41595 1/20 0.52
SRD5A2 P31213 1/20 0.51
PDE4A P27815 2/20 0.51
PDE4B Q07343 2/20 0.51
PDE4C Q08493 2/20 0.51
PDE4D Q08499 2/20 0.51
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
ENPP2 Q13822 1/20 0.49
MKNK1 Q9BUB5 1/20 0.49
MKNK2 Q9HBH9 1/20 0.49
POLB P06746 1/20 0.48

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
SCHEMBL1067002 0.89 CYP19A1 (0.55) CYP19A1CYP3A4BAZ2BADH5HTT
SCHEMBL10574724 0.86 CYP3A4 (0.74) CYP3A4BAZ2BADH5HTTHTR2A
SCHEMBL10756652 0.82 CYP19A1 (0.56) CYP19A1CYP3A4BAZ2BADH5HTT
SCHEMBL27910907 0.81 CYP51A1 (0.50) CYP19A1CYP3A4BAZ2BADH5LMNA
SCHEMBL328169 0.81 HSPB1 (0.49) CYP19A1CYP3A4LMNAENPP2MKNK1
SCHEMBL5836351 0.81 CYP19A1 (0.48) CYP19A1CYP3A4BAZ2BADH5HTT
SCHEMBL608826 0.80 ADH5 (0.67) L3MBTL1CYP19A1CYP3A4BAZ2BADH5
SCHEMBL27778716 0.80 ADH5 (0.57) CYP19A1CYP3A4BAZ2BADH5HTT
SCHEMBL5307055 0.79 MAOB (0.67) CYP3A4BAZ2BADH5HTTHTR2A
SCHEMBL6324509 0.79 MAPT (0.74) CYP19A1CYP3A4BAZ2BADH5HTT

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 2 patents. 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
US-20050113438-A1 Substituted indoles WYETH (US) 2005-05-26 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 (2 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 L3MBTL1 2991/4885CYP19A1 95/4885CYP3A4 369/4885
US-20050113438-A1 Substituted indoles IDO2, IDO1, INMT L3MBTL1 1992/4885CYP19A1 296/4885CYP3A4 131/4885

“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.