SCHEMBL5436460

SCHEMBL5436460

C=Cc1nncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.47
▸ RAB9A P51151 7/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ TP53 P04637 4/20 0.47
▸ LMNA P02545 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ GOT1 P17174 2/20 0.47
▸ MPO P05164 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ PKM P14618 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAOA P21397 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ THPO P40225 1/20 0.47
▸ AOX1 Q06278 1/20 0.47
▸ ACOX1 Q15067 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL7547757 0.85 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL6008542 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL291352 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL224748 0.80 NPC1 (0.47) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL30827215 0.77 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL8152019 0.77 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL15715878 0.75 ALDH1A1 (0.39) SMN1; SMN2KDM4EALDH1A1CYP1A2MAOA
SCHEMBL4254166 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL4254162 0.74 NPC1 (0.44) NPC1RAB9ASMN1; SMN2KDM4ETP53
SCHEMBL9114296 0.73 NPC1 (0.38) NPC1RAB9ASMN1; SMN2KDM4ETP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011007835-A OPTICAL FILM, IMAGE DISPLAY DEVICE INCLUDING THE SAME AND NEW POLYMER NIPPON SHOKUBAI CO LTD 2011-01-13 — — JP disclosed
US-7307276-B2 Layer configuration comprising an electron-blocking element AGFA-GEVAERT (BE) 2007-12-11 — — US disclosed
US-7056600-B2 Layer configuration comprising an electron-blocking element AGFA GEVAERT (BE) 2006-06-06 — — US disclosed
WO-2004019348-A1 LAYER CONFIGURATION COMPRISING AN ELECTRON-BLOCKING ELEMENT AGFA-GEVAERT (BE) 2004-03-04 — — WO disclosed
US-20040040594-A1 Layer configuration comprising an electron-blocking element AGFA-GEVAERT (BE) 2004-03-04 — — US disclosed
US-20040044214-A1 Layer configuration comprising an electron-blocking element AGFA-GEVAERT (BE) 2004-03-04 — — US disclosed
WO-2004019346-A1 LAYER CONFIGURATION COMPRISING AN ELECTRON-BLOCKING ELEMENT AGFA-GEVAERT (BE) 2004-03-04 — — 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-20040044214-A1 Layer configuration comprising an electron-blocking element PCBP1, RER1, SCO2 NPC1 2524/4885RAB9A 4337/4885SMN1; SMN2 2471/4885

“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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