SCHEMBL13299389

SCHEMBL13299389

CC(=O)Cn1ccc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KRAS P01116 1/20 0.54
▸ PLG P00747 1/20 0.47
▸ PLAU P00749 1/20 0.47
▸ CYP1A2 P05177 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ AR P10275 1/20 0.44
▸ HTR7 P34969 1/20 0.42
▸ PPARG P37231 3/20 0.41
▸ CYP19A1 P11511 1/20 0.41

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
SCHEMBL5591112 0.90 KRAS (0.52) KRASPLGPLAUCYP1A2SLC6A2
SCHEMBL13139566 0.89 HTR7 (0.53) KRASPLGPLAUCYP1A2AR
SCHEMBL3184801 0.87 KRAS (0.55) KRASPLGPLAUCYP1A2SLC6A2
SCHEMBL14876295 0.85 ATM (0.55) KRASPLGPLAUSLC6A2AR
SCHEMBL7354759 0.83 RAB9A (0.52) KRASPPARG
SCHEMBL12475322 0.82 PLG (0.51) KRASPLGPLAUCYP1A2SLC6A2
SCHEMBL2420811 0.82 CYP1A2 (0.53) KRASPLGPLAUCYP1A2SLC6A2
SCHEMBL30764997 0.81 PLG (0.48) KRASPLGPLAUCYP1A2SLC6A2
SCHEMBL31735444 0.80 MEN1 (0.46) KRASPLGPLAUSLC6A2AR
SCHEMBL3355607 0.79 HTR7 (0.49) KRASPLGPLAUCYP1A2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137363-A1 Substituted Indoles And Methods Of Their Use WYETH LLC (US) 2010-06-03 — — US disclosed
US-7683091-B2 Substituted indoles and methods of their use WYETH (US) 2010-03-23 — — US disclosed
US-20070043101-A1 Substituted indoles and methods of their use WYETH (US) 2007-02-22 — — 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-20070043101-A1 Substituted indoles and methods of their use INMT, AANAT, IDO2 KRAS 464/4885PLG 4403/4885PLAU 4372/4885
US-20100137363-A1 Substituted Indoles And Methods Of Their Use INMT, AANAT, IDO2 KRAS 464/4885PLG 4403/4885PLAU 4372/4885

“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.

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