SCHEMBL6133327

SCHEMBL6133327

CC(C)n1nc(C(Cl)C(=O)c2cccc(F)c2)ccc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.43
SLC6A2 P23975 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
SLC6A3 Q01959 1/20 0.43
CES2 O00748 2/20 0.40
CES1 P23141 2/20 0.40
KDM4E B2RXH2 1/20 0.36
PARP1 P09874 1/20 0.36
PIK3CD O00329 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PLA2G7 Q13093 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
KCNJ6 P48051 1/20 0.34
KCNJ5 P48544 1/20 0.34
KCNJ3 P48549 1/20 0.34

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
SCHEMBL6134172 0.87 SLC6A2 (0.44) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL5149065 0.85 ADORA2A (0.34) SLC6A2SLC6A3CES2CES1HDAC1
SCHEMBL5150644 0.85 POLB (0.40) KDM4ETP53MAPTALDH1A1RAB9A
SCHEMBL6133439 0.78 CES2 (0.38) CES2CES1MAPTKMT2AGSK3B
SCHEMBL6133310 0.75 GSK3B (0.41) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6134543 0.70 CES2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6134547 0.70 CES2 (0.40) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4
SCHEMBL6133369 0.69 LMNA (0.39) CES2CES1KDM4ETP53MAPT
SCHEMBL5388545 0.69 LMNA (0.39) CES2CES1KDM4ETP53MAPT
SCHEMBL11751597 0.69 CES2 (0.68) CHRNB2SLC6A2CHRNB4CHRNA3CHRNA4

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 CHRNB2 3632/4885SLC6A2 2223/4885CHRNB4 4091/4885

“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.