SCHEMBL6740187

SCHEMBL6740187

Fc1ccc(-c2ccc3c(-c4cccnc4)coc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.48
CYP17A1 P05093 4/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
PPARG P37231 1/20 0.45
RAB9A P51151 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP19A1 P11511 2/20 0.41
CYP1A2 P05177 1/20 0.41
MCHR1 Q99705 1/20 0.40
CYP11B1 P15538 4/20 0.40
CYP11B2 P19099 4/20 0.40
CYP3A4 P08684 1/20 0.40
HDAC1 Q13547 1/20 0.39

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
SCHEMBL6741695 0.91 TDO2 (0.47) TDO2CYP17A1KDM4EALDH1A1GAA
SCHEMBL6740241 0.90 ACVR1 (0.48) CYP17A1KDM4EALDH1A1HPGDNPC1
SCHEMBL6741783 0.90 CYP19A1 (0.49) CYP17A1ALDH1A1CYP19A1CYP1A2CYP11B1
SCHEMBL6736802 0.88 CYP19A1 (0.49) CYP17A1KDM4EALDH1A1GAAHPGD
SCHEMBL6740852 0.84 CYP3A4 (0.54) CYP17A1KDM4EALDH1A1HPGDNPC1
SCHEMBL6741025 0.84 MIF (0.48) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL6741054 0.83 PIN1 (0.58) CYP17A1KDM4EALDH1A1HPGDNPC1
SCHEMBL6736043 0.83 AXL (0.59) TDO2CYP17A1CYP19A1CYP1A2CYP11B1
Bromide SCHEMBL6741296 0.83 MIF (0.47) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL6741171 0.81 CYP2A6 (0.56) PPARACYP19A1CYP11B1CYP11B2CYP3A4

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 TDO2 530/4885CYP17A1 1/4885KDM4E 445/4885

“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.