SCHEMBL6741783

SCHEMBL6741783

c1cncc(-c2ccc3c(-c4cccnc4)coc3c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.49
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2A6 P11509 1/20 0.47
CYP11B1 P15538 7/20 0.46
CYP11B2 P19099 6/20 0.46
CYP17A1 P05093 1/20 0.46
PIM1 P11309 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
ERN1 O75460 2/20 0.44
MKNK1 Q9BUB5 3/20 0.44
MKNK2 Q9HBH9 3/20 0.44
MEN1 O00255 1/20 0.44
PSIP1 O75475 1/20 0.44
AXL P30530 1/20 0.44
PIK3CA P42336 1/20 0.43
PIN1 Q13526 1/20 0.43
KMO O15229 1/20 0.43
EPHX2 P34913 1/20 0.43

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
SCHEMBL6740241 0.94 ACVR1 (0.48) CYP19A1CYP1A2ALDH1A1CYP3A4CYP2A6
SCHEMBL6736802 0.91 CYP19A1 (0.49) CYP19A1CYP1A2ALDH1A1CYP3A4CYP11B1
SCHEMBL6741025 0.90 MIF (0.48) CYP19A1CYP1A2ALDH1A1CYP3A4CYP11B1
SCHEMBL6740187 0.90 TDO2 (0.48) CYP19A1CYP1A2ALDH1A1CYP3A4CYP11B1
SCHEMBL6740852 0.90 CYP3A4 (0.54) CYP19A1CYP1A2ALDH1A1CYP3A4CYP11B1
Bromide SCHEMBL6741296 0.89 MIF (0.47) CYP19A1CYP1A2ALDH1A1CYP3A4CYP11B1
SCHEMBL6736043 0.89 AXL (0.59) CYP19A1CYP1A2CYP3A4CYP11B1CYP11B2
SCHEMBL6741695 0.89 TDO2 (0.47) CYP19A1CYP1A2ALDH1A1CYP3A4CYP11B1
SCHEMBL6741171 0.87 CYP2A6 (0.56) CYP19A1CYP3A4CYP2A6CYP11B1CYP11B2
SCHEMBL6741054 0.87 PIN1 (0.58) CYP19A1CYP1A2ALDH1A1CYP3A4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US claimed
US-6689798-B2 STEROID ALPHA-HYDROXYLASE AND STEROID LYASE INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-02-10 US disclosed
US-20030149079-A1 Novel benzofuran derivatives DAIICHI PHARMACEUTICAL CO., LTD. 2003-08-07 US disclosed
EP-1283208-A1 NOVEL BENZOFURAN DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-02-12 EP 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-20030149079-A1 Novel benzofuran derivatives CYP17A1, CYP21A2, HSD17B7 CYP19A1 22/4885CYP1A2 58/4885ALDH1A1 119/4885

“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.