SCHEMBL3435702

SCHEMBL3435702

O=C(NC(=S)N1CCC[C@@H](O)C1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KMT2A Q03164 3/20 0.59
ALOX5 P09917 2/20 0.56
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MEN1 O00255 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL2079194 1.00 ALDH1A1 (0.59) ALDH1A1KMT2AALOX5GAASMN1; SMN2
SCHEMBL2772899 0.85 ALOX5 (0.54) ALDH1A1KMT2AALOX5GAAPOLB
SCHEMBL30865951 0.82 ALOX5 (0.72) ALDH1A1KMT2AALOX5GAAPOLB
SCHEMBL19995957 0.81 NPC1 (0.56) ALDH1A1KMT2AALOX5GAASMN1; SMN2
SCHEMBL20006108 0.81 NPC1 (0.56) ALDH1A1KMT2AALOX5GAASMN1; SMN2
SCHEMBL13836513 0.81 ALOX5 (0.72) ALDH1A1KMT2AALOX5GAAPOLB
SCHEMBL28200535 0.78 HPGD (0.61) ALDH1A1POLB
SCHEMBL13162572 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AALOX5SMN1; SMN2POLB
SCHEMBL3435149 0.76 ALDH1A1 (0.54) ALDH1A1KMT2AALOX5SMN1; SMN2POLB
SCHEMBL2153314 0.76 ALDH1A1 (0.71) ALDH1A1KMT2AALOX5SMN1; SMN2POLB

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-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

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 975/4885KMT2A 1707/4885ALOX5 2252/4885

“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.