SCHEMBL5652096

SCHEMBL5652096

COC(=O)c1sc(-c2cccnc2)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.49
CYP11B1 P15538 1/20 0.49
CYP11B2 P19099 1/20 0.49
IKBKB O14920 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
ABCB1 P08183 3/20 0.46
CFTR P13569 1/20 0.46
SLC2A1 P11166 1/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP2A6 P11509 1/20 0.46
CYP2C9 P11712 1/20 0.46
POLB P06746 1/20 0.46
TP53 P04637 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL17201504 0.85 IKBKB (0.48) IKBKBALDH1A1KDM4EMAPTLMNA
SCHEMBL5196243 0.84 KDM4E (0.61) CYP19A1CYP11B1CYP11B2IKBKBALDH1A1
SCHEMBL14367853 0.83 MKNK1 (0.55) ALDH1A1MKNK1MKNK2ABCB1CYP3A4
Hydrochloric Acid SCHEMBL5653571 0.82 MKNK1 (0.54) ALDH1A1MKNK1MKNK2ABCB1CYP3A4
SCHEMBL24131787 0.77 MAPT (0.55) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL5652586 0.75 PTPN1 (0.52) CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL206570 0.75 NPC1 (0.61) ALDH1A1KDM4EMAPTLMNAPOLB
SCHEMBL17201697 0.74 ALDH1A1 (0.61) CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL7084334 0.74 CYP11B1 (0.64) CYP19A1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL4967106 0.74 NR4A2 (0.60) CYP19A1CYP11B1CYP11B2MKNK1MKNK2

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
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
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 CYP19A1 2663/4885CYP11B1 2759/4885CYP11B2 2570/4885

“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.