SCHEMBL3435149

SCHEMBL3435149

CO[C@H]1CCN(C(=S)NC(=O)c2ccccc2)C1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
POLB P06746 3/20 0.54
HPGD P15428 2/20 0.54
ALOX5 P09917 2/20 0.53
LMNA P02545 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL13162572 1.00 ALDH1A1 (0.54) ALDH1A1POLBHPGDALOX5LMNA
SCHEMBL13162574 0.81 ALDH1A1 (0.54) ALDH1A1POLBHPGDALOX5LMNA
SCHEMBL2153314 0.80 ALDH1A1 (0.71) ALDH1A1POLBHPGDALOX5LMNA
SCHEMBL25772130 0.79 ACHE (0.59) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL20006108 0.79 NPC1 (0.56) ALDH1A1POLBHPGDALOX5LMNA
SCHEMBL19995957 0.79 NPC1 (0.56) ALDH1A1POLBHPGDALOX5LMNA
SCHEMBL3435126 0.77 ALOX5 (0.63) ALDH1A1POLBHPGDALOX5LMNA
SCHEMBL2079194 0.76 ALDH1A1 (0.59) ALDH1A1POLBALOX5NPC1RAB9A
SCHEMBL3435702 0.76 ALDH1A1 (0.59) ALDH1A1POLBALOX5NPC1RAB9A
SCHEMBL2772899 0.75 ALOX5 (0.54) ALDH1A1POLBALOX5NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
EP-2009005-A1 AZOLECARBOXAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-12-31 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-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 ALDH1A1 975/4885POLB 4512/4885HPGD 1166/4885

“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.