SCHEMBL1453992

SCHEMBL1453992

CCCCN(CCCC)c1ccc(/C=C2/Cc3ccccc3C2=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.67
MAOA P21397 2/20 0.67
ACHE P22303 3/20 0.60
MIF P14174 5/20 0.58
BCHE P06276 1/20 0.58
PTGS2 P35354 2/20 0.56
CYP19A1 P11511 2/20 0.53
TNF P01375 2/20 0.53
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
STK17B O94768 1/20 0.50
HRH3 Q9Y5N1 1/20 0.47
AR P10275 1/20 0.47
CES2 O00748 1/20 0.47

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
SCHEMBL1453994 1.00 MAOB (0.67) MAOBMAOAACHEMIFBCHE
SCHEMBL6681374 0.87 MAOB (0.73) MAOBMAOAACHEMIFBCHE
SCHEMBL3801973 0.87 MAOB (0.73) MAOBMAOAACHEMIFBCHE
SCHEMBL16312876 0.87 MAOB (0.73) MAOBMAOAACHEMIFBCHE
SCHEMBL30298462 0.87 MAOB (0.73) MAOBMAOAACHEMIFBCHE
SCHEMBL9168685 0.85 MAOB (0.66) MAOBMAOAACHEMIFBCHE
SCHEMBL9166995 0.85 MAOB (0.66) MAOBMAOAACHEMIFBCHE
SCHEMBL9166494 0.82 MAOB (0.62) MAOBMAOAACHEMIFBCHE
SCHEMBL51712 0.80 MAOB (1.00) MAOBMAOAACHEMIFBCHE
SCHEMBL51711 0.80 MAOB (1.00) MAOBMAOAACHEMIFBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2011-08-04 US disclosed
US-7910579-B2 Benzoxazole derivatives TOHOKU UNIVERSITY (JP) 2011-03-22 US disclosed
US-20100021385-A1 BENZOXAZOLE DERIVATIVES TOHOKU UNIVERSITY (JP) 2010-01-28 US disclosed
EP-2103611-A1 BENZOXAZOLE DERIVATIVES Tohoku University (JP) 2009-09-23 EP disclosed
US-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TOHOKU UNIVERSITY (JP) 2009-07-23 US disclosed
EP-1967517-A1 PROBE FOR DIAGNOSIS OF CONFORMATIONAL DISEASE TOHOKU UNIVERSITY (JP) 2008-09-10 EP 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 (3 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-20090185975-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TARDBP, LMNA, PMP22 MAOB 2710/4885MAOA 3430/4885ACHE 2033/4885
US-20100021385-A1 BENZOXAZOLE DERIVATIVES CBX7, KIT, BMX MAOB 2087/4885MAOA 1977/4885ACHE 3046/4885
US-20110190492-A1 DIAGNOSTIC PROBE FOR CONFORMATION DISEASE TARDBP, LMNA, PMP22 MAOB 2710/4885MAOA 3430/4885ACHE 2033/4885

“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.