SCHEMBL1060313

SCHEMBL1060313

N=C(Cc1ccc(C(=O)O)cc1)NO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEP1B Q16820 1/20 0.49
ALDH1A1 P00352 2/20 0.48
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 3/20 0.46
SRD5A2 P31213 3/20 0.44
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
C1S P09871 1/20 0.44
PRSS3 P35030 1/20 0.44
FOLH1 Q04609 3/20 0.44
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
MEN1 O00255 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41

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
SCHEMBL24258017 0.80 LOXL2 (0.56) ALDH1A1TP53TSHRKMT2AMEN1
SCHEMBL211138 0.80 HDAC8 (0.67) MEP1BALDH1A1TP53TSHRKMT2A
SCHEMBL434982 0.77 HDAC8 (0.56) ALDH1A1TSHRKMT2AHDAC8HDAC6
SCHEMBL838150 0.75 CA2 (0.46) ALDH1A1HDAC8HDAC2
SCHEMBL1965925 0.75 IDO1 (0.45) KMT2AMEN1
SCHEMBL276932 0.74 CA2 (0.62) ALDH1A1TP53TSHRKMT2ASRD5A2
SCHEMBL21097010 0.74 LMNA (0.53) ALDH1A1TSHRKMT2AHDAC8HDAC6
SCHEMBL21169907 0.74 ALDH1A1 (0.50) ALDH1A1TP53TSHRKMT2ASRD5A2
Hydrochloric Acid SCHEMBL7287603 0.74 F2 (0.55) ALDH1A1TP53TSHRKMT2ASRD5A2
SCHEMBL641405 0.74 IDO1 (0.44) ALDH1A1KMT2AHDAC8HDAC6MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. 2023-08-24 US disclosed
US-7868204-B2 Inhibitors of histone deacetylase METHYLGENE INC. (CA) 2011-01-11 US disclosed
US-7838520-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2010-11-23 US disclosed
US-7595343-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2009-09-29 US disclosed
US-20060058298-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2006-03-16 US disclosed
US-20050288282-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2005-12-29 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-6897220-B2 Inhibitors of histone deacetylase METHYLGENE, INC. (CA) 2005-05-24 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20040142953-A1 Inhibitors of histone deacetylase METHYLGENE, INC. 2004-07-22 US disclosed
US-20040106599-A1 Inhibitors of histone deacetylase 92229129 QUEBEC INC. (CA) 2004-06-03 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 (5 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-20050288282-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MEP1B 3028/4885ALDH1A1 796/4885TP53 575/4885
US-20040106599-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MEP1B 3028/4885ALDH1A1 796/4885TP53 575/4885
US-20230265082-A1 SUBSTITUTED 1,2,4-OXADIAZOLES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 USP28, USP1, USP18 MEP1B 3147/4885ALDH1A1 494/4885TP53 137/4885
US-20060058298-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MEP1B 3028/4885ALDH1A1 796/4885TP53 575/4885
US-20040142953-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC3 MEP1B 3028/4885ALDH1A1 796/4885TP53 575/4885

“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.