SCHEMBL117686

SCHEMBL117686

Cc1nc([N+](=O)[O-])ccc1OCCOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.41
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ S1PR4 O95977 10/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ P2RX3 P56373 5/20 0.34
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33

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
SCHEMBL118944 0.81 KDM4C (0.45) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL15509143 0.76 LMNA (0.46) NPC1RAB9AMEN1KMT2AL3MBTL1
SCHEMBL15508783 0.76 NPBWR1 (0.48) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL19175107 0.75 KMT2A (0.51) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL15508982 0.75 KMT2A (0.40) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL15243993 0.74 KDM4C (0.43) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL26641451 0.74 KDM4C (0.48) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL2367956 0.73 MEN1 (0.56) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL16851818 0.72 L3MBTL1 (0.41) KDM4CNPC1RAB9AMEN1KMT2A
SCHEMBL30029518 0.72 L3MBTL1 (0.41) KDM4CNPC1RAB9AMEN1KMT2A

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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2012-04-26 — — US disclosed
EP-2424866-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS -SECRETASE INHIBITORS High Point Pharmaceuticals, LLC (US) 2012-03-07 — — EP disclosed
WO-2010126745-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS β-SECRETASE INHIBITORS HIGH POINT PHARMACEUTICALS, LLC (US) 2010-11-04 — — WO 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-20120101093-A1 SUBSTITUTED IMIDAZO[1,2-A]PYRIDINE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE AS BETA-SECRETASE INHIBITORS BACE1, BACE2, APP KDM4C 2948/4885NPC1 289/4885RAB9A 2165/4885

“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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