SCHEMBL6133796

SCHEMBL6133796

CC(C)NC(=O)c1nc(-c2ccccc2)c(-c2ccc(=O)[nH]n2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.50
ADORA1 P30542 2/20 0.50
ADORA3 P0DMS8 1/20 0.50
ADORA2B P29275 1/20 0.50
ALOX15 P16050 1/20 0.48
TSHR P16473 1/20 0.48
CASP1 P29466 1/20 0.48
CYP1A2 P05177 3/20 0.45
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
XIAP P98170 1/20 0.39
ACR P10323 1/20 0.39
MME P08473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 2/20 0.36
CHEK1 O14757 1/20 0.36
RET P07949 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 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
SCHEMBL6828463 0.83 ADORA3 (0.46) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL6134289 0.83 KDM4E (0.44) ADORA2AADORA1ADORA3CYP1A2ALDH1A1
SCHEMBL6133155 0.82 CYP1A2 (0.50) ADORA2AADORA1CYP1A2ALDH1A1XIAP
SCHEMBL6825993 0.82 ADORA3 (0.45) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL6134270 0.81 MAPK8 (0.51) ADORA2AADORA1CYP1A2ALDH1A1HTT
SCHEMBL6133301 0.81 ALDH1A1 (0.49) ADORA2AADORA1ADORA3CYP1A2ALDH1A1
SCHEMBL6133470 0.79 ALDH1A1 (0.47) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL6133813 0.78 ALOX15 (0.46) ADORA2AADORA1ADORA3ADORA2BALOX15
SCHEMBL6133541 0.78 LMNA (0.49) ADORA2AADORA1TSHRALDH1A1HTT
SCHEMBL6830662 0.78 ADORA3 (0.41) ADORA2AADORA1ADORA3ADORA2BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050004134-A1 Thiazole derivative and pharmaceutical use thereof ASTELLAS PHARMA INC. (JP) 2005-01-06 US disclosed
EP-1441732-A2 THIAZOLE DERIVATIVE AND PHARMACEUTICAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-04 EP disclosed
WO-2003039451-A2 THIAZOLE PYRIDAZINONES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-05-15 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 (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-20050004134-A1 Thiazole derivative and pharmaceutical use thereof MC2R, CYP2C9, OXTR ADORA2A 635/4885ADORA1 243/4885ADORA3 257/4885

“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.