SCHEMBL15029033

SCHEMBL15029033

CC(=O)Nc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.60
NPC1 O15118 1/20 0.58
CNR2 P34972 1/20 0.58
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52
EPHX2 P34913 11/20 0.52
PTPN1 P18031 1/20 0.51
LMNA P02545 1/20 0.50
KDM1A O60341 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL15029019 0.82 HDAC6 (0.72) HDAC6CNR2ALDH1A1EPHX2LMNA
SCHEMBL15029096 0.82 EPHX2 (0.57) HDAC6CNR2EPHX2LMNAHDAC3
SCHEMBL12961980 0.81 EPHX2 (0.62) NPC1ALDH1A1POLBEPHX2
SCHEMBL15009146 0.80 CNR2 (0.61) HDAC6CNR2ALDH1A1EPHX2LMNA
SCHEMBL15029143 0.80 HDAC6 (0.60) HDAC6CNR2ALDH1A1EPHX2LMNA
SCHEMBL19808458 0.79 EPHX2 (0.69) EPHX2LMNA
SCHEMBL1421158 0.78 HDAC6 (0.74) HDAC6CNR2ALDH1A1EPHX2LMNA
SCHEMBL3324612 0.77 ALDH1A1 (0.70) NPC1CNR2ALDH1A1POLB
SCHEMBL2403036 0.77 HDAC6 (0.68) HDAC6CNR2ALDH1A1EPHX2LMNA
SCHEMBL9720806 0.77 HDAC6 (0.63) HDAC6CNR2ALDH1A1EPHX2LMNA

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 7 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-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
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 581/4885NPC1 706/4885CNR2 4661/4885

“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.