SCHEMBL6656880

SCHEMBL6656880

Cc1ccncc1-n1ccc2cc(-c3cccc([N+](=O)[O-])c3)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
CHRNA5 P30532 1/20 0.43
CHRNA4 P43681 1/20 0.43
MAPT P10636 4/20 0.42
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
PGR P06401 2/20 0.42
CYP11B1 P15538 4/20 0.41
CYP11B2 P19099 4/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
SLC6A2 P23975 1/20 0.40
CYP19A1 P11511 1/20 0.40

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
SCHEMBL6654310 0.83 CYP11B1 (0.45) MAPTCYP1A2CYP11B1CYP11B2CYP19A1
SCHEMBL6657982 0.82 CHRNB2 (0.49) CHRNB2CHRNA5CHRNA4MAPTRAB9A
SCHEMBL6661929 0.82 MET (0.42) CHRNB2CHRNA5CHRNA4MAPTRAB9A
SCHEMBL6660298 0.82 CYP11B2 (0.55) MAPTCYP11B1CYP11B2CYP19A1
SCHEMBL6661489 0.81 CYP19A1 (0.43) MAPTCYP11B1CYP11B2CYP19A1
SCHEMBL6658314 0.81 MAPT (0.44) MAPTCYP3A4CYP11B1CYP11B2
SCHEMBL6845500 0.80 CYP11B1 (0.47) MAPTCYP11B1CYP11B2CYP19A1
SCHEMBL6658837 0.78 CYP11B2 (0.46) CHRNB2CHRNA5CHRNA4MAPTCYP1A2
SCHEMBL6846121 0.78 CYP11B1 (0.45) MAPTCYP11B1CYP11B2CYP19A1
SCHEMBL6657641 0.77 CYP11B1 (0.44) MAPTPGRCYP11B1CYP11B2CYP19A1

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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 US disclosed
EP-1432698-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027094-A2 SUBSTITUTED 3-PYRIDYL INDOLES AND INDAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 WO 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 CHRNB2 3541/4885CHRNA5 2650/4885CHRNA4 4040/4885

“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.