SCHEMBL5646586

SCHEMBL5646586

O=C(Oc1ccc(-n2cccc2)cc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
NPC1 O15118 2/20 0.65
KDM4E B2RXH2 1/20 0.65
CYP1A2 P05177 2/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
HPGD P15428 1/20 0.62
MEN1 O00255 3/20 0.62
CASP3 P42574 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
TSHR P16473 2/20 0.58
TP53 P04637 1/20 0.56
ALDH1A1 P00352 1/20 0.54
MAPT P10636 1/20 0.54
HTT P42858 1/20 0.54
EPHX1 P07099 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL5648810 0.85 ALDH1A1 (0.72) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5649609 0.82 CYP1A2 (0.57) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL2419713 0.82 CYP1A2 (0.68) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5101418 0.81 KMT2A (0.82) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5650663 0.81 CYP1A2 (0.66) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5649217 0.79 HSD17B10 (0.81) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL5649640 0.79 KMT2A (1.00) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL8247308 0.78 CYP1A2 (1.00) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL30520172 0.78 CYP1A2 (0.71) KMT2ARAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL7380436 0.76 CYP1A2 (0.69) KMT2ARAB9ASMN1; SMN2NPC1KDM4E

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
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US claimed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO claimed
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
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

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 KMT2A 4150/4885RAB9A 2926/4885SMN1; SMN2 4233/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL KMT2A 4322/4885RAB9A 3386/4885SMN1; 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.