SCHEMBL5650464

SCHEMBL5650464

O=C(On1ccnc1-c1cccs1)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.43
KDM4E B2RXH2 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.43
CASP1 P29466 1/20 0.43
CASP7 P55210 1/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 2/20 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
SCHEMBL5644836 0.88 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL6675044 0.86 PBK (0.42) SMN1; SMN2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL5650921 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1KDM4EHPGDGAA
SCHEMBL5652526 0.79 TP53 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL6630206 0.78 ALDH1A1 (0.38) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL5648670 0.78 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL5649715 0.78 SMN1; SMN2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL5648637 0.76 NPC1 (0.48) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL5645420 0.76 FKBP1A (0.46) SMN1; SMN2NPC1RAB9AALDH1A1TSHR
SCHEMBL5650037 0.75 CYP1A2 (0.47) SMN1; SMN2NPC1RAB9AALDH1A1TSHR

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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US 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
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

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 SMN1; SMN2 4233/4885NPC1 814/4885RAB9A 2926/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL SMN1; SMN2 4133/4885NPC1 973/4885RAB9A 3386/4885

“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.