SCHEMBL15480657

SCHEMBL15480657

COc1cc(C(=O)N(C)c2ccc(C(=O)NO)cc2)ccc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.46
HDAC1 Q13547 7/20 0.46
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
HDAC8 Q9BY41 7/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
GFER P55789 1/20 0.43
MCL1 Q07820 1/20 0.43
KDM1A O60341 2/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
USP2 O75604 1/20 0.42
MAPK14 Q16539 1/20 0.42
SMPD1 P17405 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL15482284 0.89 USP2 (0.52) HDAC6HDAC1CA1CA2HDAC8
SCHEMBL4655697 0.85 HDAC6 (0.51) HDAC6HDAC1HDAC8ALDH1A1MAPT
SCHEMBL14880129 0.83 HDAC1 (0.59) HDAC6HDAC1TAS1R3TAS1R1CA1
SCHEMBL4656681 0.79 HDAC6 (0.51) HDAC6HDAC1HDAC8ALDH1A1LMNA
SCHEMBL15480658 0.79 CA1 (0.70) HDAC6HDAC1CA1CA2HDAC8
SCHEMBL15480595 0.78 KDM4E (0.48) ALDH1A1LMNAMAPTMAPK1USP2
SCHEMBL4659080 0.77 HDAC6 (0.67) HDAC6HDAC1HDAC8ALDH1A1HSD17B1
SCHEMBL4659287 0.77 HDAC6 (0.67) HDAC6HDAC1HDAC8ALDH1A1HSD17B1
SCHEMBL4657802 0.77 HDAC6 (0.64) HDAC6HDAC1HDAC8MAPTHSD17B1
SCHEMBL17151146 0.77 CYP1A2 (0.47) TAS1R3TAS1R1CA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENT AB (SE) 2017-01-26 US disclosed
US-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS CERENO SCIENTIFIC AB 2014-02-20 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-20140051716-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885TAS1R3 4242/4885
US-20170020874-A1 COMPOUNDS AND METHODS FOR IMPROVING IMPAIRED ENDOGENOUS FIBRINOLYSIS USING HISTONE DEACETYLASE INHIBITORS HDAC3, HDAC1, HDAC2 HDAC6 10/4885HDAC1 2/4885TAS1R3 4242/4885

“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.