SCHEMBL6713666

SCHEMBL6713666

O=[C]Cn1cnc2ccccc21

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.63
CYP11B1 P15538 5/20 0.56
CYP11B2 P19099 5/20 0.56
TNF P01375 1/20 0.56
EGLN3 Q9H6Z9 1/20 0.54
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 1/20 0.51
FDPS P14324 2/20 0.51
GGPS1 O95749 1/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
APAF1 O14727 1/20 0.50
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4815726 0.81 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL1039253 0.81 TDP1 (0.63) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL3966477 0.80 TDP1 (0.73) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL1306628 0.79 TDP1 (0.59) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL30564238 0.78 TDP1 (0.76) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL6794361 0.78 TDP1 (0.76) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL6442808 0.78 TDP1 (1.00) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL28148842 0.77 SMN1; SMN2 (0.56) TDP1HTTSMN1; SMN2LMNAMAPK1
SCHEMBL5913820 0.77 TDP1 (0.81) TDP1CYP11B1CYP11B2TNFEGLN3
SCHEMBL23706470 0.75 TDP1 (0.64) TDP1CYP11B1CYP11B2TNFEGLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277838-B1 ADMINISTERING DOSAGE OF ANXIOLYTIC AGENT TO ANIMAL COCENSYS, INC. 2001-08-21 US claimed
EP-0752860-B1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR EURO CELTIQUE SA (LU) 2000-08-23 EP claimed
EP-0752860-A4 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS INC (US) 1998-05-06 EP claimed
EP-0752860-A1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS, INC. (US) 1997-01-15 EP claimed
WO-1995021617-A1 ANDROSTANES AND PREGNANES FOR ALLOSTERIC MODULATION OF GABA RECEPTOR COCENSYS, INC. (US) 1995-08-17 WO claimed
US-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria HOKURIKU SEIYAKU CO., LTD. (JP) 2004-07-01 US disclosed
EP-1323726-A1 ERYTHROMYCIN DERIVATIVES AND MEDICINES CONTAINING THE SAME HOKURIKU SEIYAKU CO., LTD. (JP) 2003-07-02 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-20040127433-A1 excellent antibacterial activity especially against a typical acid-fast mycobacteria including multiple drug-resistant bacteria MAPRE1, MAPRE2, MRPS27 TDP1 4405/4885CYP11B1 1303/4885CYP11B2 1373/4885

“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.