SCHEMBL6133400

SCHEMBL6133400

C=CCn1nc(-c2sc(C(=O)NC(C)C)nc2-c2ccccc2)ccc1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
HTT P42858 3/20 0.44
TSHR P16473 2/20 0.44
ALOX15 P16050 1/20 0.42
CASP1 P29466 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HSD17B10 Q99714 1/20 0.39
POLB P06746 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.36
PKM P14618 1/20 0.36
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL6133356 0.88 KDM4E (0.51) KDM4EHTTTSHRALOX15CASP1
SCHEMBL6133496 0.87 KDM4E (0.54) KDM4EHTTTSHRALOX15CASP1
SCHEMBL6134162 0.87 MEN1 (0.51) KDM4ETSHRALOX15CASP1ALDH1A1
SCHEMBL6134080 0.86 KDM4E (0.53) KDM4EHTTTSHRALOX15CASP1
SCHEMBL6134015 0.85 KDM4E (0.45) KDM4EHTTTSHRALDH1A1MEN1
SCHEMBL6133255 0.85 HTT (0.47) KDM4EHTTTSHRALDH1A1MEN1
SCHEMBL6920286 0.84 HTT (0.43) KDM4EHTTTSHRALDH1A1MEN1
SCHEMBL6133470 0.83 ALDH1A1 (0.47) KDM4EHTTTSHRALOX15CASP1
SCHEMBL6133701 0.83 KDM4E (0.46) KDM4EHTTTSHRALOX15ALDH1A1
SCHEMBL6133813 0.82 ALOX15 (0.46) KDM4EHTTTSHRALOX15CASP1

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 KDM4E 3814/4885HTT 477/4885TSHR 20/4885

“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.