SCHEMBL5277589

SCHEMBL5277589

O=C(O)c1ccccc1OCCCCNCCCc1nc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PTK2B Q14289 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ DRD2 P14416 2/20 0.42
▸ DRD4 P21917 2/20 0.42
▸ DRD3 P35462 2/20 0.42
▸ LOXL2 Q9Y4K0 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTPN1 P18031 1/20 0.38

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
SCHEMBL5272204 0.97 NPC1 (0.45) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5279910 0.96 NPC1 (0.44) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5274283 0.96 NPC1 (0.44) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5579707 0.95 NPC1 (0.43) NPC1RAB9AMAPTKMT2AALDH1A1
SCHEMBL5278464 0.83 PKM (0.45) NPC1RAB9AMAPTSMN1; SMN2DRD2
SCHEMBL5271191 0.81 TP53 (0.46) NPC1RAB9AMAPTKMT2ATP53
SCHEMBL5277813 0.81 PLA2G4B (0.46) NPC1RAB9AMAPTSMN1; SMN2DRD2
SCHEMBL5274250 0.80 RAB9A (0.44) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL5272902 0.80 TP53 (0.46) NPC1RAB9AMAPTKMT2AMEN1
SCHEMBL5276150 0.79 TP53 (0.46) NPC1RAB9AMAPTKMT2ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7301033-B2 PPAR-activating compound KOWA CO., LTD. (JP) 2007-11-27 — — US disclosed
EP-1857447-A1 PPAR-ACTIVATING COMPOUND Kowa Company, Ltd. (JP) 2007-11-21 — — EP disclosed
US-20060167058-A1 PPAR-activating compound KOWA CO., LTD. (JP) 2006-07-27 — — 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-20060167058-A1 PPAR-activating compound PPARA, PPARG, PPARD NPC1 851/4885RAB9A 4288/4885MAPT 4734/4885

“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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