SCHEMBL6740241

SCHEMBL6740241

c1ccc(-c2ccc3c(-c4cccnc4)coc3c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 1/20 0.48
PIN1 Q13526 1/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
CYP11B1 P15538 4/20 0.45
CYP19A1 P11511 4/20 0.44
CYP11B2 P19099 3/20 0.44
CYP17A1 P05093 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
MKNK2 Q9HBH9 2/20 0.43
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
TP53 P04637 1/20 0.42

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
SCHEMBL6741783 0.94 CYP19A1 (0.49) PIN1CYP11B1CYP19A1CYP11B2CYP17A1
SCHEMBL6736802 0.92 CYP19A1 (0.49) ACVR1CYP11B1CYP19A1CYP11B2CYP17A1
SCHEMBL6740187 0.90 TDO2 (0.48) ACVR1CYP11B1CYP19A1CYP11B2CYP17A1
SCHEMBL6741025 0.87 MIF (0.48) PIN1CYP11B1CYP19A1CYP11B2ALDH1A1
SCHEMBL6740852 0.87 CYP3A4 (0.54) CYP11B1CYP19A1CYP11B2CYP17A1ALDH1A1
SCHEMBL6741054 0.87 PIN1 (0.58) PIN1CYP11B1CYP19A1CYP11B2CYP17A1
SCHEMBL6741695 0.86 TDO2 (0.47) ACVR1CYP11B1CYP19A1CYP11B2CYP17A1
SCHEMBL6736043 0.86 AXL (0.59) PIN1CYP11B1CYP19A1CYP11B2CYP17A1
Bromide SCHEMBL6741296 0.86 MIF (0.47) PIN1CYP11B1CYP19A1CYP11B2ALDH1A1
SCHEMBL6741171 0.84 CYP2A6 (0.56) ACVR1PIN1CYP11B1CYP19A1CYP11B2

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 ACVR1 2108/4885PIN1 585/4885PTPN2 1558/4885

“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.