SCHEMBL16508693

SCHEMBL16508693

CNCCNC(=O)c1ccc(OC)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.73
▸ RAB9A P51151 5/20 0.73
▸ PLK1 P53350 1/20 0.62
▸ SMN1; SMN2 Q16637 5/20 0.61
▸ HPGD P15428 1/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ PKM P14618 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.58
▸ POLB P06746 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ NFKB2 Q00653 1/20 0.58
▸ RELA Q04206 1/20 0.58
▸ MAPT P10636 2/20 0.57
▸ MDM2 Q00987 1/20 0.55
▸ KMT2A Q03164 1/20 0.55

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
SCHEMBL16685001 0.93 NPC1 (0.83) NPC1RAB9APLK1SMN1; SMN2HPGD
SCHEMBL20707159 0.89 NPC1 (0.88) NPC1RAB9APLK1SMN1; SMN2HPGD
SCHEMBL14271589 0.84 NPC1 (0.75) NPC1RAB9APLK1SMN1; SMN2HPGD
SCHEMBL9489987 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCA1
SCHEMBL11756315 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCA1
SCHEMBL11761105 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCA1
SCHEMBL11758269 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCA1
SCHEMBL11755990 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCA1
SCHEMBL11754310 0.84 NPC1 (1.00) NPC1RAB9ASMN1; SMN2HPGDCA1
SCHEMBL6360344 0.84 NPC1 (0.75) NPC1RAB9APLK1SMN1; SMN2HPGD

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-20110305770-A1 RELEASABLE POLYMERIC LIPIDS FOR NUCLEIC ACIDS DELIVERY SYSTEM ENZON PHARMACEUTICALS, INC. (US) 2011-12-15 — — 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-20110305770-A1 RELEASABLE POLYMERIC LIPIDS FOR NUCLEIC ACIDS DELIVERY SYSTEM KPNA6, LPAR6, KAT6B NPC1 271/4885RAB9A 2128/4885PLK1 392/4885

“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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