SCHEMBL5651138

SCHEMBL5651138

CN(C)C(=O)On1nnc2ccccc2c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPSE Q9Y251 1/20 0.50
ALDH1A1 P00352 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 1/20 0.44
HSD17B10 Q99714 3/20 0.43
TSHR P16473 2/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 4/20 0.43
LMNA P02545 3/20 0.42
ALOX15 P16050 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL1561845 0.84 HPSE (0.53) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6234424 0.83 HPSE (0.52) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL3127639 0.82 ALDH1A1 (0.47) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL10098857 0.81 ALDH1A1 (0.51) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1562841 0.81 HPSE (0.60) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL5649727 0.81 HDAC3 (0.57) ALDH1A1SMN1; SMN2KMT2ATSHRGAA
SCHEMBL18493192 0.81 HPSE (0.50) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL1562499 0.80 ALDH1A1 (0.54) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL25734944 0.80 HPSE (0.50) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL528860 0.78 ALDH1A1 (0.43) HPSEALDH1A1SMN1; SMN2CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1423376-A1 BICYCLIC COMPOUND, PRODUCTION AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-06-02 EP disclosed
WO-2003014105-A9 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-11-20 WO disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003014105-A1 BICYCLIC COMPOUND, PRODUCTION AND USE AS HIV INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-02-20 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 (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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL HPSE 631/4885ALDH1A1 1304/4885SMN1; SMN2 4233/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL HPSE 408/4885ALDH1A1 1599/4885SMN1; SMN2 4133/4885

“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.