SCHEMBL5645448

SCHEMBL5645448

O=C(On1nc(Br)c(Br)c1Br)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 6/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 3/20 0.38
HPGD P15428 2/20 0.38
NCEH1 Q6PIU2 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MAPT P10636 3/20 0.37
LMNA P02545 2/20 0.37
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
LIPA P38571 3/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 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
SCHEMBL5653723 0.74 ALDH1A1 (0.49) ALDH1A1POLBSMN1; SMN2HTTHPGD
SCHEMBL5652353 0.69 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5649629 0.68 ALDH1A1 (0.45) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5650366 0.67 TSHR (0.39) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL11633888 0.67 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL11629136 0.67 ALDH1A1 (0.41) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5650445 0.66 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5320124 0.65 ALDH1A1 (0.48) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL5648948 0.65 SMN1; SMN2 (0.41) ALDH1A1POLBSMN1; SMN2NPC1RAB9A
SCHEMBL11627637 0.65 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2NPC1RAB9AHTT

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 7 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
EP-1458375-A2 COMPOSITIONS 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

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 ALDH1A1 1304/4885POLB 3606/4885SMN1; SMN2 4233/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL ALDH1A1 1599/4885POLB 2734/4885SMN1; 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.