SCHEMBL5652018

SCHEMBL5652018

O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1Cc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 17/20 1.00
BCHE P06276 1/20 0.72
GAA P10253 2/20 0.56
MAPT P10636 2/20 0.56
HTT P42858 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
LMNA P02545 2/20 0.53
XBP1 P17861 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL5646326 0.93 LIPE (1.00) LIPEBCHEGAAMAPTHTT
SCHEMBL5646111 0.85 LIPE (0.73) LIPEBCHEGAAMAPTHTT
SCHEMBL5648719 0.84 LIPE (0.81) LIPEBCHEGAAMAPTHTT
SCHEMBL5646210 0.84 LIPE (1.00) LIPEBCHEGAAMAPTHTT
SCHEMBL5648434 0.83 MAPT (0.78) LIPEBCHEGAAMAPTHTT
SCHEMBL5647028 0.82 LIPE (0.72) LIPEBCHEGAAMAPTHTT
SCHEMBL5648905 0.82 LIPE (0.81) LIPEBCHEGAAMAPTHTT
SCHEMBL5647031 0.82 LIPE (0.81) LIPEBCHEGAAMAPTHTT
SCHEMBL6627875 0.82 LIPE (0.81) LIPEBCHEGAAMAPTHTT
SCHEMBL5647461 0.82 LIPE (1.00) LIPEBCHEGAAMAPTHTT

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 LIPE 1/4885BCHE 126/4885GAA 21/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL LIPE 1/4885BCHE 112/4885GAA 26/4885

“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.