SCHEMBL1053757

SCHEMBL1053757

NNC(=O)c1cc(N2CCOCC2)ccn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.56
HDAC1 Q13547 5/20 0.52
HDAC6 Q9UBN7 2/20 0.52
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
PLOD2 O00469 2/20 0.47
PLOD3 O60568 2/20 0.47
PLOD1 Q02809 2/20 0.47
MAPT P10636 5/20 0.46
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
PIK3CA P42336 1/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP30 Q70CQ3 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL14875861 0.87 CTSA (0.54) CTSAHDAC1HDAC6RAB9ANPC1
SCHEMBL18135106 0.86 CTSA (0.56) CTSAHDAC1HDAC6RAB9ANPC1
SCHEMBL14882710 0.85 CTSA (0.53) CTSAHDAC1HDAC6RAB9ANPC1
Hydrochloric Acid SCHEMBL14876435 0.84 CTSA (0.52) CTSAHDAC1HDAC6RAB9ANPC1
SCHEMBL10681265 0.83 HRH4 (0.52) HDAC1USP30KDM4EGAAHDAC3
SCHEMBL10098367 0.82 KMO (0.57) CTSAHDAC1HDAC6RAB9ANPC1
SCHEMBL14876126 0.82 CTSA (0.51) CTSAHDAC1HDAC6RAB9ANPC1
Hydrochloric Acid SCHEMBL14876252 0.81 KMO (0.56) CTSAHDAC1HDAC6RAB9ANPC1
SCHEMBL31704893 0.81 CTSA (0.51) CTSAHDAC1HDAC6RAB9ANPC1
Lithium Ion SCHEMBL31704599 0.80 CTSA (0.47) CTSAHDAC1HDAC6RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371219-A1 Herbicidal acylhydrazides BASF SE (DE) 2011-10-05 EP disclosed
US-7928049-B2 Use of metal complex compounds as oxidation catalysts BASF SE Ludwigshafen (DE) 2011-04-19 US disclosed
US-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA CORPORATION (US) 2011-01-27 US disclosed
EP-2173484-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (DE) 2010-04-14 EP disclosed
WO-2009013163-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS BASF SE (CH) 2009-01-29 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-20110021407-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS SOD1, MPO, LPO CTSA 1281/4885HDAC1 82/4885HDAC6 257/4885

“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.