SCHEMBL3550329

SCHEMBL3550329

O=C(O)c1csc(N2CCCC2=O)n1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 4/20 0.50
LDHA P00338 5/20 0.44
PTGER1 P34995 7/20 0.43
KDM4E B2RXH2 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 1/20 0.42
TBXA2R P21731 1/20 0.40
CHEK1 O14757 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL13270332 0.84 L3MBTL1 (0.57) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2077603 0.80 L3MBTL1 (0.59) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL12402370 0.76 L3MBTL1 (0.67) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL3544311 0.76 L3MBTL1 (1.00) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL29135323 0.76 L3MBTL1 (0.67) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL3435648 0.76 PTGER1 (0.56) L3MBTL1ALDH1A1LDHAPTGER1KDM4E
SCHEMBL30075627 0.75 L3MBTL1 (0.41) L3MBTL1ALDH1A1LDHAPTGER1KDM4E
SCHEMBL3435678 0.74 PTGER1 (0.59) L3MBTL1ALDH1A1LDHAPTGER1KDM4E
SCHEMBL13634187 0.73 L3MBTL1 (0.66) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL15269069 0.72 L3MBTL1 (0.60) L3MBTL1ALDH1A1KDM4ESMN1; SMN2NPC1

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 8 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
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
CN-101426774-B Azolecarboxamide derivative ASTELLAS PHARMA INC 2012-04-25 CN disclosed
US-8163746-B2 Azolecarboxamide derivative ASTELLAS PHARMA INC. (JP) 2012-04-24 US disclosed
US-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-09-30 US disclosed
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-11-19 US disclosed
CN-101426774-A Azolecarboxamide derivative ASTELLAS PHARMA INC (JP) 2009-05-06 CN 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-20100249088-A1 AZOLECARBOXAMIDE COMPOUND OR SALT THEREOF TRPV1, FGFR3, GPR17 L3MBTL1 3953/4885ALDH1A1 1659/4885LDHA 3123/4885
US-20090286766-A1 AZOLECARBOXAMIDE DERIVATIVE GPR17, NTRK1, TRPV1 L3MBTL1 3267/4885ALDH1A1 975/4885LDHA 2568/4885

“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.