SCHEMBL6739711

SCHEMBL6739711

Oc1ccc2c(-c3cccnc3)coc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 7/20 0.55
NPC1 O15118 5/20 0.55
RAB9A P51151 5/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
POLB P06746 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
CYP3A4 P08684 6/20 0.50
HPGD P15428 5/20 0.50
HSD17B10 Q99714 5/20 0.50
CYP11B1 P15538 4/20 0.50
MAPT P10636 4/20 0.50
CYP11B2 P19099 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
MAOA P21397 3/20 0.50
MAOB P27338 3/20 0.50
CYP17A1 P05093 2/20 0.50
CYP19A1 P11511 2/20 0.50

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
SCHEMBL6736802 0.90 CYP19A1 (0.49) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6740852 0.89 CYP3A4 (0.54) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6741783 0.86 CYP19A1 (0.49) ALDH1A1CYP3A4CYP11B1CYP11B2CYP17A1
SCHEMBL6740241 0.84 ACVR1 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6741025 0.83 MIF (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL4884228 0.82 ALDH1A1 (0.77) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
Bromide SCHEMBL6741296 0.82 MIF (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6740187 0.80 TDO2 (0.48) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6736043 0.79 AXL (0.59) CYP3A4CYP11B1CYP11B2CYP2D6CYP2C9
SCHEMBL6741695 0.79 TDO2 (0.47) KDM4EALDH1A1NPC1RAB9ASMN1; SMN2

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-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 KDM4E 445/4885ALDH1A1 119/4885NPC1 1542/4885

“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.