SCHEMBL6840530

SCHEMBL6840530

CCOc1ccc(-c2ccc3ccn(-c4cccnc4)c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.56
CYP19A1 P11511 3/20 0.56
CYP11B1 P15538 3/20 0.56
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 2/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR1D P28221 1/20 0.44
HPGD P15428 1/20 0.42
ALDH1A1 P00352 2/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP17A1 P05093 2/20 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
SCHEMBL6659927 0.91 CYP11B2 (0.56) CYP11B2CYP19A1CYP11B1NPC1RAB9A
SCHEMBL6846114 0.82 HTR1D (0.48) CYP11B2CYP19A1CYP11B1HTR1DCYP17A1
SCHEMBL6844272 0.82 HTR6 (0.50) CYP11B2CYP19A1CYP11B1CYP3A4HTR1D
SCHEMBL6660192 0.81 CYP11B1 (0.57) CYP11B2CYP19A1CYP11B1NPC1RAB9A
SCHEMBL6846150 0.81 HTR1D (0.55) CYP11B2CYP19A1CYP11B1CYP3A4HTR1D
SCHEMBL6658140 0.80 CYP19A1 (0.55) CYP11B2CYP19A1CYP11B1NPC1RAB9A
SCHEMBL6844427 0.80 CYP11B2 (0.54) CYP11B2CYP19A1CYP11B1NPC1RAB9A
SCHEMBL6659322 0.78 HTR1D (0.47) CYP11B2CYP19A1CYP11B1CYP3A4HTR1D
SCHEMBL6846000 0.77 CDC7 (0.43) CYP11B2CYP19A1CYP11B1NPC1HTR1D
SCHEMBL6656508 0.77 CYP11B2 (0.53) CYP11B2CYP19A1CYP11B1NPC1RAB9A

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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-11-25 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-20040236110-A1 Substituted 3-pyridyl indoles and indazoles as c17,20 lyase inhibitors CYP17A1, IDO1, CYP21A2 CYP11B2 53/4885CYP19A1 9/4885CYP11B1 30/4885

“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.