SCHEMBL15029019

SCHEMBL15029019

CC(=O)c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.72
CNR2 P34972 1/20 0.57
EPHX2 P34913 3/20 0.56
LMNA P02545 2/20 0.52
HDAC8 Q9BY41 3/20 0.52
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPK1 P28482 1/20 0.48
SCN9A Q15858 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HDAC1 Q13547 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL1421158 0.86 HDAC6 (0.74) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL2403036 0.85 HDAC6 (0.68) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL16884221 0.85 HDAC6 (0.63) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL15029094 0.85 HDAC6 (0.72) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL21712145 0.84 HDAC6 (1.00) HDAC6CNR2HDAC8KMT2AMEN1
SCHEMBL15029033 0.82 HDAC6 (0.60) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL15029143 0.82 HDAC6 (0.60) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL1421044 0.82 HDAC6 (0.64) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL9720806 0.79 HDAC6 (0.63) HDAC6CNR2EPHX2LMNAHDAC8
SCHEMBL15013342 0.79 CNR2 (0.65) HDAC6CNR2EPHX2LMNAHDAC8

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
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-9884832-B2 Inhibitors targeting drug-resistant influenza A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-02-06 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
US-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-07-09 US disclosed
WO-2013086131-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-06-13 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-20150191439-A1 INHIBITORS TARGETING DRUG-RESISTANT INFLUENZA A HAVCR2, HDLBP, HSP90B1 HDAC6 581/4885CNR2 4661/4885EPHX2 4332/4885

“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.