SCHEMBL6133369

SCHEMBL6133369

CC(C)n1nc(C(Br)C(=O)c2ccccc2)ccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.36
PGR P06401 1/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2B P18089 1/20 0.35
HTR2A P28223 1/20 0.35
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GLA P06280 2/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.33
STAT1 P42224 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL5150644 0.83 POLB (0.40) LMNAPOLBTSHRTP53PGR
SCHEMBL5388545 0.83 LMNA (0.39) LMNAPOLBTSHRTP53PGR
SCHEMBL6923211 0.80 ALDH1A1 (0.38) LMNAPOLBTSHRTP53PGR
SCHEMBL5152700 0.79 TP53 (0.38) LMNAPOLBTSHRTP53ALDH1A1
SCHEMBL5152476 0.77 POLB (0.38) LMNAPOLBTSHRTP53PGR
SCHEMBL5147972 0.74 GPR139 (0.39) ALDH1A1KDM4EGLAHPGDMAPT
SCHEMBL6539221 0.73 ALDH1A1 (0.46) LMNAPOLBTSHRALDH1A1KDM4E
SCHEMBL5152357 0.72 CES2 (0.43) LMNAPOLBTP53ALDH1A1KDM4E
SCHEMBL27679545 0.71 ALDH1A1 (0.46) LMNAPOLBTP53ALDH1A1KDM4E
SCHEMBL5147931 0.70 POLB (0.44) LMNAPOLBTSHRTP53ALDH1A1

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 4 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
WO-2004089939-A1 CONDENSED FURAN DERIVATIVES AS ADENOSINE ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-21 WO 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 LMNA 4780/4885POLB 3447/4885TSHR 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.