SCHEMBL193655

SCHEMBL193655

CC(C)(C)OC(=O)N[C@@H](CCOc1cccc([N+](=O)[O-])c1)C(=O)OC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 5/20 0.49
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ALOX5 P09917 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
HSP90AB1 P08238 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL193656 1.00 CACNA1B (0.49) CACNA1BCHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL193381 0.89 CACNA1B (0.48) CACNA1BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL193382 0.89 CACNA1B (0.48) CACNA1BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL12395408 0.86 CHRNB2 (0.46) CHRNB2CHRNA4CHRNB4CHRNA3NPC1
SCHEMBL193352 0.85 CACNA1B (0.52) CACNA1B
SCHEMBL193351 0.85 CACNA1B (0.52) CACNA1B
SCHEMBL13667331 0.85 CACNA1B (0.52) CACNA1BRAB9APOLBMEN1KMT2A
SCHEMBL1147671 0.81 CACNA1B (0.47) CACNA1B
SCHEMBL14066395 0.80 CACNA1B (0.45) CACNA1BNPC1RAB9AMAPTSMN1; SMN2
SCHEMBL192979 0.80 CACNA1B (0.54) CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
EP-1877366-B1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2012-01-04 EP disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-7973181-B2 Hydroxamic acid derivatives as inhibitors of HDAC enzymatic activity CHROMA THERAPEUTICS LTD. (GB) 2011-07-05 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
US-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2009-12-03 US disclosed
EP-1877366-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY Chroma Therapeutics Limited (GB) 2008-01-16 EP disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117548-A1 HYDROXAMIC ACID DERVICATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY CHROMA THERAPEUTICS LTD (GB) 2006-11-09 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-20090298924-A1 HYDROXAMIC ACID DERIVATIVES AS INHIBITORS OF HDAC ENZYMATIC ACTIVITY HDAC1, HDAC3, HAT1 CACNA1B 2547/4885CHRNB2 655/4885CHRNA4 627/4885

“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.