SCHEMBL5652586

SCHEMBL5652586

COC(=O)c1sc(-c2cccnc2)c(Br)c1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.52
ALDH1A1 P00352 2/20 0.44
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
CYP19A1 P11511 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CFTR P13569 1/20 0.41
HPGD P15428 2/20 0.41
SLC2A1 P11166 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41

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
SCHEMBL1919879 0.75 CDC7 (0.54) ALDH1A1CYP11B1CYP11B2CYP19A1HDAC3
SCHEMBL5652096 0.75 CYP19A1 (0.49) ALDH1A1CYP11B1CYP11B2CYP19A1HDAC3
SCHEMBL3904612 0.75 PTPN1 (0.60) PTPN1
SCHEMBL27691396 0.70 GABRA1 (0.60) ALDH1A1CYP11B1CYP11B2CYP19A1CFTR
SCHEMBL5196243 0.70 KDM4E (0.61) ALDH1A1CYP11B1CYP11B2CYP19A1CFTR
SCHEMBL28699640 0.69 CFTR (0.54) ALDH1A1CYP11B1CYP11B2CYP19A1CFTR
SCHEMBL18195379 0.69 ALDH1A1 (0.54) ALDH1A1CYP11B1CYP11B2CYP19A1HDAC1
SCHEMBL14237794 0.69 CYP1A2 (0.57) ALDH1A1CYP11B1CYP11B2CYP19A1CYP3A4
SCHEMBL17201697 0.69 ALDH1A1 (0.61) ALDH1A1CYP11B1CYP11B2CYP19A1HDAC3
SCHEMBL9827009 0.69 TRPM8 (0.51) PTPN1ALDH1A1HPGDMAPK1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070270458-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-11-22 US disclosed
US-20070270458-A1 Nicotinic Acetylcholine Receptor Ligands ASTRAZENECA AB (SE) 2007-11-22 US disclosed
CN-1914201-A Nicotinic acetylcholine receptor ligands ASTRAZENECA AB (SE) 2007-02-14 CN disclosed
EP-1699786-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS AstraZeneca AB (SE) 2006-09-13 EP disclosed
WO-2005061494-A1 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2005-07-07 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-20070270458-A1 Nicotinic Acetylcholine Receptor Ligands CHRNA2, CHRNA1, CHRNA6 PTPN1 2063/4885ALDH1A1 755/4885CYP11B1 2759/4885

“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.