SCHEMBL5943969

SCHEMBL5943969

CCCOCc1cc(-c2ccc(C(=O)OC)cc2)cc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
KMT2A Q03164 6/20 0.47
MEN1 O00255 5/20 0.47
POLB P06746 3/20 0.45
MAPT P10636 4/20 0.44
ALDH1A1 P00352 3/20 0.41
GAA P10253 1/20 0.41
USP10 Q14694 1/20 0.40
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5943770 0.89 RXRA (0.48) ERN1
SCHEMBL5943774 0.82 CA1 (0.42) ERN1MAPTCA12CA1CA2
SCHEMBL5943928 0.80 ERN1 (0.51) ERN1KMT2AMEN1POLBMAPT
SCHEMBL14337755 0.78 F2RL3 (0.42) KMT2AMEN1POLBMAPTLMNA
SCHEMBL5943996 0.77 NPC1 (0.59) ERN1KMT2AMEN1POLBMAPT
SCHEMBL1579991 0.77 MAPT (0.49) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7218133 0.77 LOXL2 (0.56) KMT2AMEN1MAPTALDH1A1GAA
SCHEMBL3021443 0.75 POLB (0.73) ERN1KMT2AMEN1POLBMAPT
SCHEMBL5943743 0.74 ERN1 (0.59) ERN1KMT2AMEN1POLBMAPT
SCHEMBL2219207 0.74 GAA (0.57) KMT2AMEN1POLBMAPTGAA

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
US-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase AXYS PHARMACEUTICALS, INC. (US) 2006-03-16 US disclosed
EP-1472216-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE Axys Pharmaceuticals (US) 2004-11-03 EP disclosed
WO-2003066579-A2 NOVEL BICYCLIC HYDROXAMATES AS INHIBITORS OF HISTONE DEACETYLASE AXYS PHARMACEUTICALS (US) 2003-08-14 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-20060058553-A1 Novel bicyclic hydroxamates as inhibitors of histone deacetylase HDAC1, HDAC2, HDAC11 ERN1 2915/4885KMT2A 100/4885MEN1 4206/4885

“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.