SCHEMBL3328174

SCHEMBL3328174

Cc1nc(N2CCOCC2)sc1C(=O)Cl

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.76
PIK3CA P42336 4/20 0.76
PIK3CB P42338 4/20 0.76
ALDH1A1 P00352 7/20 0.72
GAA P10253 2/20 0.72
KDM4E B2RXH2 2/20 0.72
MAPT P10636 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
ALOX5 P09917 3/20 0.46
PTGS2 P35354 2/20 0.45
HPGD P15428 2/20 0.43
AR P10275 1/20 0.43
ALOX15 P16050 2/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PIK3CG P48736 4/20 0.42
CNR1 P21554 1/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL1574758 0.86 PIK3CD (0.78) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL3328268 0.86 PIK3CD (1.00) PIK3CDPIK3CAPIK3CBALDH1A1GAA
Hydrochloric Acid SCHEMBL6114749 0.85 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL24829791 0.84 ALDH1A1 (1.00) PIK3CDPIK3CAPIK3CBALDH1A1GAA
Hydrochloric Acid SCHEMBL5010640 0.84 PIK3CD (0.74) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL17452585 0.82 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL19902544 0.82 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL6120595 0.81 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL26346633 0.81 ALDH1A1 (0.76) PIK3CDPIK3CAPIK3CBALDH1A1GAA
SCHEMBL625865 0.80 PIK3CA (0.68) PIK3CDPIK3CAPIK3CBALDH1A1GAA

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-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2010-06-03 US disclosed
EP-2148868-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NeuroSearch A/S (DK) 2010-02-03 EP disclosed
WO-2008138917-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS NEUROSEARCH A/S (DK) 2008-11-20 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-20100137312-A1 NOVEL AROMATIC HETEROCYCLIC CARBOXYLIC ACID AMIDE DERIVATIVES USEFUL AS POTASSIUM CHANNEL MODULATORS KCNH1, KCNJ2, KCNN2 PIK3CD 1333/4885PIK3CA 1300/4885PIK3CB 1634/4885

“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.