SCHEMBL2772899

SCHEMBL2772899

O=C(NC(=S)N1CCCC(F)C1)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.54
ALDH1A1 P00352 2/20 0.51
GAA P10253 1/20 0.50
POLB P06746 1/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47

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 0.85 ALDH1A1 (0.59) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL3435702 0.85 ALDH1A1 (0.59) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL30865951 0.81 ALOX5 (0.72) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL19995957 0.80 NPC1 (0.56) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL20006108 0.80 NPC1 (0.56) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL13836513 0.80 ALOX5 (0.72) ALOX5ALDH1A1GAAPOLBKMT2A
SCHEMBL13162572 0.75 ALDH1A1 (0.54) ALOX5ALDH1A1POLBKMT2ANPC1
SCHEMBL3435149 0.75 ALDH1A1 (0.54) ALOX5ALDH1A1POLBKMT2ANPC1
SCHEMBL2153314 0.75 ALDH1A1 (0.71) ALOX5ALDH1A1POLBKMT2ANPC1
SCHEMBL3435126 0.75 ALOX5 (0.63) ALOX5ALDH1A1GAAPOLBKMT2A

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
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
EP-2206707-B1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2014-07-23 EP disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 EP disclosed
EP-2206707-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF Astellas Pharma Inc. (JP) 2010-07-14 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 ALOX5 2748/4885ALDH1A1 1659/4885GAA 4334/4885

“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.