SCHEMBL17481418

SCHEMBL17481418

NCCCNCc1cc(OCc2ccc(F)cc2F)cc(OCc2ccc(F)cc2F)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.44
▸ AGXT P21549 2/20 0.44
▸ MAOB P27338 1/20 0.43
▸ GSK3B P49841 2/20 0.43
▸ BACE1 P56817 2/20 0.43
▸ MC4R P32245 1/20 0.42
▸ MC5R P33032 1/20 0.42
▸ MC3R P41968 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ ACHE P22303 4/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ LMNA P02545 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ SCN3A Q9NY46 1/20 0.37

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
SCHEMBL17481414 0.90 PPARA (0.51) IDO1AGXTMAOBGSK3BBACE1
SCHEMBL17481533 0.86 KMT2A (0.48) IDO1AGXTMAOBGSK3BBACE1
SCHEMBL17481411 0.84 PPARA (0.53) IDO1AGXTMAOBGSK3BBACE1
SCHEMBL18313742 0.76 HTR2C (0.47) MAOBGSK3BBACE1SMN1; SMN2PPARA
SCHEMBL17481535 0.75 MEN1 (0.60) MAOBGSK3BBACE1SMN1; SMN2PPARA
SCHEMBL18313743 0.72 ALDH1A1 (0.50) MAOBBACE1KDM4EACHEBCHE
SCHEMBL14303982 0.72 ACHE (0.52) IDO1AGXTBACE1MC4RMC5R
SCHEMBL16264603 0.72 BCHE (0.59) MC4RMC5RMC3RCHRM2BCHE
Hydrochloric Acid SCHEMBL29778348 0.71 BCHE (0.58) MC4RMC5RMC3RBCHE
SCHEMBL8351299 0.70 CHRM2 (0.71) MC4RMC5RMC3RKDM4EACHE

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 IDO1 3845/4885AGXT 3485/4885MAOB 3820/4885

“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.

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