SCHEMBL1121592

SCHEMBL1121592

CC(C)(C)NC(=O)COc1ccc2oc(NC3CCNCC3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.42
SSTR5 P35346 6/20 0.40
KDR P35968 1/20 0.40
SSTR1 P30872 2/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
KCNH2 Q12809 1/20 0.39
FAAH O00519 2/20 0.38
ANO1 Q5XXA6 1/20 0.38
HPGDS O60760 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL1121582 0.86 HDAC6 (0.45) HDAC6SSTR5KDRSSTR1KCNH2
SCHEMBL1121777 0.85 HDAC6 (0.46) HDAC6SSTR5KDRSSTR1KCNH2
SCHEMBL1121662 0.80 PDE3B (0.44) HDAC6SSTR5KDRSSTR1KCNH2
SCHEMBL4594314 0.80 SSTR5 (0.46) HDAC6SSTR5SSTR1KCNH2FAAH
SCHEMBL1121668 0.80 SSTR5 (0.65) SSTR5SSTR1KCNH2HRH1
Hydrochloric Acid SCHEMBL1121926 0.79 TLR7 (0.43) HDAC6SSTR5KDRSSTR1KCNH2
SCHEMBL1121939 0.79 HDAC6 (0.42) HDAC6SSTR5KDRSSTR1KCNH2
SCHEMBL1121551 0.78 SSTR5 (0.71) SSTR5SSTR1KCNH2HRH1
SCHEMBL1121102 0.78 SSTR5 (0.70) SSTR5SSTR1KCNH2HRH1
SCHEMBL1121546 0.78 FAAH (0.52) HDAC6SSTR5LMNAFAAHHPGDS

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
EP-1924579-B1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-02-09 EP disclosed
US-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES BINGGELI ALFRED 2009-06-25 US disclosed
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-26 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-20090163517-A1 BENZOOXAZOLE, OXAZOLOPYRIDINE, BENZOTHIAZOLE AND THIAZOLOPYRIDINE DERIVATIVES SSTR5, NPY5R, NPY1R HDAC6 1473/4885SSTR5 1/4885KDR 824/4885
US-20070093521-A1 Benzooxazole, oxazolopyridine, benzothiazole and thiazolopyridine derivatives SSTR5, NPY5R, NPY1R HDAC6 1473/4885SSTR5 1/4885KDR 824/4885

“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.