SCHEMBL9005429

SCHEMBL9005429

CCC(CC)C(c1ccc(Nc2nc3ccc(O)cc3s2)cc1)n1cncn1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 7/20 0.76
CYP3A4 P08684 3/20 0.76
CYP2C9 P11712 3/20 0.76
CYP2C8 P10632 2/20 0.76
CYP26B1 Q9NR63 2/20 0.76
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
DYRK1A Q13627 5/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
DYRK1B Q9Y463 3/20 0.36
CYP19A1 P11511 2/20 0.36
SCD O00767 1/20 0.36
APP P05067 2/20 0.36
SULT1A1 P50225 1/20 0.36

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
SCHEMBL14221922 0.95 CYP26A1 (0.68) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL9005425 0.90 CYP26A1 (0.77) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL13642299 0.87 CYP26A1 (0.73) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL21020998 0.86 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL721201 0.86 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL4984008 0.86 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
Talarozole SCHEMBL3739251 0.86 CYP26A1 (1.00) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL9005469 0.85 CYP26A1 (0.57) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL13642547 0.84 CYP26A1 (0.67) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1
SCHEMBL9005692 0.83 CYP26A1 (0.65) CYP26A1CYP3A4CYP2C9CYP2C8CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399495-B2 Talarazole metabolites STIEFEL LABORATORIES, INC. (US) 2013-03-19 US disclosed
US-8399495-B2 Talarazole metabolites STIEFEL LABORATORIES, INC. (US) 2013-03-19 US disclosed
US-20120283204-A1 TALARAZOLE METABOLITES BARRETT DEBRA (US) 2012-11-08 US disclosed
US-20120283204-A1 TALARAZOLE METABOLITES BARRETT DEBRA (US) 2012-11-08 US disclosed
US-8188124-B2 Talarazole metabolites STIEFEL LABORATORIES, INC. (US) 2012-05-29 US disclosed
US-8188124-B2 Talarazole metabolites STIEFEL LABORATORIES, INC. (US) 2012-05-29 US disclosed
US-20100292284-A1 Talarazole metabolites STIEFEL LABORATORIES, INC. (US) 2010-11-18 US disclosed
US-20100292284-A1 Talarazole metabolites STIEFEL LABORATORIES, INC. (US) 2010-11-18 US disclosed
WO-2008049027-A1 TALARAZOLE METABOLITES STIEFEL LABORATORIES, INC. (US) 2008-04-24 WO 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 (2 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-20100292284-A1 Talarazole metabolites UGT1A3, GRHPR, UGT1A7 CYP26A1 29/4885CYP3A4 85/4885CYP2C9 52/4885
US-20120283204-A1 TALARAZOLE METABOLITES UGT1A3, GRHPR, UGT1A7 CYP26A1 29/4885CYP3A4 85/4885CYP2C9 52/4885

“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.