SCHEMBL5387345

SCHEMBL5387345

CCCCCCCCCCCCCOc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
NPC1 O15118 1/20 0.61
RAB9A P51151 1/20 0.61
HRH3 Q9Y5N1 1/20 0.60
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
KCNH2 Q12809 3/20 0.58
MGLL Q99685 1/20 0.57
NR5A1 Q13285 1/20 0.56
PTGS2 P35354 1/20 0.55
DRD2 P14416 1/20 0.55
DRD4 P21917 1/20 0.55
DRD3 P35462 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TP53 P04637 1/20 0.54
TSHR P16473 1/20 0.54

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
SCHEMBL9308071 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL9232088 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5052431 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL3332201 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL1963497 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL51004 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL8410318 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL5049067 1.00 MAPT (0.62) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL1240044 0.98 MAPT (0.63) MAPTL3MBTL1NPC1RAB9AHRH3
SCHEMBL25232552 0.95 MAPT (0.65) MAPTL3MBTL1NPC1RAB9AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US claimed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US claimed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US claimed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 US claimed
US-7312337-B2 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY (US) 2007-12-25 US disclosed
US-7268235-B2 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY (US) 2007-09-11 US disclosed
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes EASTMAN KODAK COMPANY 2006-04-06 US disclosed
US-20060069262-A1 Oxadiazoles and their manufacture EASTMAN KODAK COMPANY 2006-03-30 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 (2 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-20060069262-A1 Oxadiazoles and their manufacture OXA1L, CYP1B1, OXER1 MAPT 2422/4885L3MBTL1 2848/4885NPC1 3914/4885
US-20060074245-A1 Method for preparation of N-pyrazolylamidoximes KCNH1, KCNJ2, KCNH2 MAPT 4219/4885L3MBTL1 4825/4885NPC1 3178/4885

“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.