SCHEMBL6627769

SCHEMBL6627769

O=C1C(Br)CCCCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
CFTR P13569 1/20 0.37
GOPC Q9HD26 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
IGF1R P08069 1/20 0.37
ALOX15 P16050 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CTRB1 P17538 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CYP19A1 P11511 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
SCHEMBL963102 0.96 TP53 (0.54) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL961105 0.81 LMNA (0.37) TP53L3MBTL1TSHRKMT2AALDH1A1
SCHEMBL16179411 0.81 TP53 (0.62) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL6762506 0.81 TP53 (0.62) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL1617463 0.78 TP53 (0.37) TP53L3MBTL1KMT2ANPSR1ALDH1A1
SCHEMBL195564 0.74 HTR2C (0.40) TP53L3MBTL1
SCHEMBL27173480 0.73 TP53 (0.54) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL21558172 0.73 TP53 (0.54) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL3538429 0.73 TP53 (0.54) TP53L3MBTL1DDB1CRBNCFTR
SCHEMBL17185891 0.73 DDB1 (0.52) DDB1CRBNKMT2AALDH1A1CYP19A1

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-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors BAYER PHARMACEUTICALS CORPORATION 2004-12-30 US disclosed
EP-1432706-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS Bayer Pharmaceuticals Corporation (US) 2004-06-30 EP disclosed
WO-2003027085-A2 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS BAYER PHARMACEUTICALS CORPORATION (US) 2003-04-03 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-20040267017-A1 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors CYP17A1, CYP21A2, HSD17B1 TP53 1260/4885L3MBTL1 2671/4885DDB1 1701/4885

“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.