SCHEMBL15009433

SCHEMBL15009433

NC(=O)COc1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
RAB9A P51151 1/20 0.61
HDAC6 Q9UBN7 2/20 0.56
CNR2 P34972 3/20 0.48
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 1/20 0.45
FAAH O00519 1/20 0.44
TRPV6 Q9H1D0 1/20 0.44
LMNA P02545 1/20 0.44
EPHX2 P34913 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL15029143 0.80 HDAC6 (0.60) HDAC6CNR2ALDH1A1KDM4ETRPV6
SCHEMBL15029094 0.79 HDAC6 (0.72) MEN1KMT2AHDAC6CNR2ALDH1A1
SCHEMBL15009194 0.79 CNR2 (0.61) MEN1KMT2AHDAC6CNR2TRPV6
SCHEMBL15029095 0.77 HDAC6 (0.58) KMT2AHDAC6CNR2ALDH1A1KDM4E
SCHEMBL3361475 0.76 CNR2 (0.60) MEN1KMT2AHDAC6CNR2ALDH1A1
SCHEMBL15009560 0.76 TRPV6 (0.66) MEN1KMT2ACNR2FAAHTRPV6
SCHEMBL15009244 0.75 CNR2 (0.62) MEN1KMT2AHDAC6CNR2ALDH1A1
SCHEMBL15008841 0.75 MAOB (0.51) MEN1KMT2ARAB9AHDAC6CNR2
SCHEMBL16887741 0.75 MEN1 (0.53) MEN1KMT2ARAB9AHDAC6CNR2
SCHEMBL1421158 0.75 HDAC6 (0.74) MEN1KMT2AHDAC6CNR2ALDH1A1

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 8 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
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 MEN1 3879/4885KMT2A 4163/4885RAB9A 1566/4885

“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.