SCHEMBL4596331

SCHEMBL4596331

O=C1Nc2ccc(Br)cc2CC1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
CMA1 P23946 1/20 0.41
AHR P35869 1/20 0.41
TDP2 O95551 1/20 0.39
TGM2 P21980 1/20 0.39
CES1 P23141 1/20 0.39
NQO2 P16083 1/20 0.38
PNMT P11086 4/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
RIPK1 Q13546 1/20 0.36
PARP10 Q53GL7 1/20 0.36
PARP11 Q9NR21 1/20 0.36
ADRA2A P08913 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
SCHEMBL5131215 0.80 BRD4 (0.47) BRD4CMA1AHRTDP2TGM2
SCHEMBL7428693 0.80 BRD4 (0.51) BRD4CMA1AHRTDP2TGM2
SCHEMBL14550603 0.80 BRD4 (0.51) BRD4CMA1AHRTDP2TGM2
SCHEMBL13564104 0.80 BRD4 (0.44) BRD4CMA1AHRTDP2TGM2
Hydrochloric Acid SCHEMBL25330756 0.79 BRD4 (0.46) BRD4CMA1AHRTDP2TGM2
Hydrochloric Acid SCHEMBL30576528 0.79 BRD4 (0.46) BRD4CMA1AHRTDP2TGM2
SCHEMBL15330265 0.78 BRD4 (0.45) BRD4CMA1AHRTDP2TGM2
SCHEMBL15540370 0.76 RIPK1 (0.48) BRD4CMA1AHRTDP2NQO2
SCHEMBL25329800 0.76 RIPK1 (0.48) BRD4CMA1AHRTDP2NQO2
SCHEMBL4596354 0.75 CREBBP (0.51) BRD4AHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023103898-A1 COMPOUND HAVING CLK AND DYRK INHIBITORY ACTIVITIES, PREPARATION METHOD THEREFOR AND USE THEREOF 赛诺哈勃药业(成都)有限公司 2023-06-15 WO disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
US-20080176830-A1 Compounds, Compositions, and Methods ADAMS NICHOLAS D 2008-07-24 US disclosed
EP-1874753-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113432-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080176830-A1 Compounds, Compositions, and Methods ALPP, PCNA, MKI67 BRD4 1727/4885CMA1 2057/4885AHR 4058/4885

“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.