SCHEMBL5528679

SCHEMBL5528679

O=[N+]([O-])c1ccc(NO)nc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.65
CYP1A2 P05177 1/20 0.65
MAPT P10636 9/20 0.60
MEN1 O00255 7/20 0.60
KMT2A Q03164 7/20 0.60
LMNA P02545 4/20 0.60
ALOX12 P18054 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.55
POLB P06746 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 5/20 0.53
PABPC1 P11940 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
SCHEMBL20796131 0.84 MEN1 (0.74) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL3943376 0.82 MEN1 (0.62) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL18469873 0.81 KMT2A (0.60) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL8503181 0.81 KMT2A (0.60) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL1446574 0.81 KMT2A (0.60) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL930847 0.81 GAA (0.65) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL8503182 0.81 KMT2A (0.60) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL31503950 0.81 KMT2A (0.60) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL477394 0.80 CYP1A2 (0.73) GAACYP1A2MAPTMEN1KMT2A
SCHEMBL477396 0.80 CYP1A2 (0.73) GAACYP1A2MAPTMEN1KMT2A

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-20070275935-A1 Estratriene Derivatives CRYPTOPHARMA PTY LTD (AU) 2007-11-29 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-20070275935-A1 Estratriene Derivatives ESR2, ESRRB, NR3C2 GAA 4708/4885CYP1A2 265/4885MAPT 4065/4885

“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.