SCHEMBL5850550

SCHEMBL5850550

CS(=O)(=O)c1cccc(Oc2cncc(C=CC3CCCN3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.39
NR1H2 P55055 9/20 0.37
NR1H3 Q13133 9/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
BTK Q06187 1/20 0.36
NFE2L2 Q16236 2/20 0.35
KHK P50053 1/20 0.35
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNB3 Q05901 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL5850558 1.00 AKT1 (0.39) AKT1NR1H2NR1H3DDB1CRBN
SCHEMBL5851082 1.00 AKT1 (0.39) AKT1NR1H2NR1H3DDB1CRBN
SCHEMBL5849085 0.81 AKT1 (0.47) AKT1KHKCHRNB1CHRNB2CHRNB4
SCHEMBL5848897 0.81 AKT1 (0.47) AKT1KHKCHRNB1CHRNB2CHRNB4
SCHEMBL5848903 0.81 AKT1 (0.47) AKT1KHKCHRNB1CHRNB2CHRNB4
SCHEMBL5849340 0.80 AKT1 (0.45) AKT1KHKCHRNB1CHRNB2CHRNB4
SCHEMBL5849329 0.80 AKT1 (0.45) AKT1KHKCHRNB1CHRNB2CHRNB4
SCHEMBL5850636 0.80 AKT1 (0.45) AKT1KHKCHRNB1CHRNB2CHRNB4
SCHEMBL5849534 0.78 SMN1; SMN2 (0.42) AKT1
SCHEMBL5849062 0.78 SMN1; SMN2 (0.42) AKT1

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-7101896-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2006-09-05 US disclosed
US-20050267111-A1 Pharmaceutical compositions and methods for use DULL GARY M 2005-12-01 US disclosed
US-6890935-B2 Pharmaceutical compositions and methods for use TARGACEPT, INC. (US) 2005-05-10 US disclosed
WO-2002088114-A2 HETEROARYL OFEFINIC AZACYCLIC AND HETEROARYL ACETYLENIC AZACYCLIC COMPOUNDS FOR THE TREATMENT OF CNS DISORDERS TARGACEPT, INC. (US) 2002-11-07 WO disclosed
US-20020058652-A1 Pharmaceutical compositions and methods for use TARGACEPT, INC. 2002-05-16 US 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 (2 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-20050267111-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885NR1H2 1207/4885NR1H3 858/4885
US-20020058652-A1 Pharmaceutical compositions and methods for use CYP3A7, AADAC, CYP2B6 AKT1 3325/4885NR1H2 1207/4885NR1H3 858/4885

“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.