SCHEMBL17481414

SCHEMBL17481414

NCCCNCc1ccc(OCc2ccc(F)cc2F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.51
▸ MAOB P27338 5/20 0.49
▸ GSK3B P49841 1/20 0.48
▸ BACE1 P56817 1/20 0.48
▸ LMNA P02545 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ SCN3A Q9NY46 1/20 0.47
▸ BCHE P06276 2/20 0.45
▸ MC4R P32245 1/20 0.45
▸ MC5R P33032 1/20 0.45
▸ MC3R P41968 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL17481411 0.95 PPARA (0.53) PPARAMAOBGSK3BBACE1LMNA
SCHEMBL17481418 0.90 IDO1 (0.44) PPARAMAOBGSK3BBACE1LMNA
SCHEMBL17481535 0.86 MEN1 (0.60) PPARAMAOBGSK3BBACE1LMNA
SCHEMBL8351299 0.77 CHRM2 (0.71) LMNAMC4RMC5RMC3RCHRM2
SCHEMBL17481533 0.75 KMT2A (0.48) PPARAMAOBGSK3BBACE1LMNA
SCHEMBL17611474 0.75 MAOB (0.59) PPARAMAOBGSK3BBACE1NPSR1
SCHEMBL5511238 0.75 MAOB (0.58) PPARAMAOBGSK3BBACE1IDO1
SCHEMBL3457379 0.75 MAOB (0.58) PPARAMAOBGSK3BBACE1IDO1
SCHEMBL5514364 0.75 MAOB (0.62) PPARAMAOBGSK3BBACE1MEN1
SCHEMBL4339666 0.74 MAOB (0.61) PPARAMAOBGSK3BBACE1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031799-A1 P62-ZZ CHEMICAL INHIBITOR ID4PHARMA LLC (US) 2016-02-04 — — 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 (1 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-20160031799-A1 P62-ZZ CHEMICAL INHIBITOR SQSTM1, CTSZ, BECN1 PPARA 2769/4885MAOB 3820/4885GSK3B 697/4885

“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.

Send feedback