SCHEMBL2945510

SCHEMBL2945510

COC(=O)[C@H]1CC[C@H](CNC(=O)CCCCl)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.45
CNR1 P21554 11/20 0.45
FAAH O00519 2/20 0.44
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36

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
SCHEMBL2945512 1.00 CNR2 (0.45) CNR2CNR1FAAHMEN1KMT2A
SCHEMBL2941952 0.79 SMN1; SMN2 (0.47) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL2941951 0.79 SMN1; SMN2 (0.47) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL1724542 0.76 TDP1 (0.44) MEN1KMT2AALDH1A1TDP1
SCHEMBL12615476 0.76 TDP1 (0.44) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL1724543 0.76 TDP1 (0.44) MEN1KMT2AALDH1A1TDP1
SCHEMBL23318169 0.75 CNR2 (0.45) CNR2CNR1FAAHALDH1A1HPGD
SCHEMBL17690489 0.74 KMT2A (0.41) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL8256660 0.74 KMT2A (0.41) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL8249309 0.74 KMT2A (0.41) MEN1KMT2AALDH1A1TDP1HPGD

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
EP-1489078-B1 BENZOFURAN DERIVATIVE MITSUBISHI TANABE PHARMA CORP (JP) 2010-01-06 EP disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 US disclosed
US-20050282808-A1 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2005-12-22 US disclosed
EP-1489078-A1 BENZOFURAN DERIVATIVE Tanabe Seiyaku Co., Ltd. (JP) 2004-12-22 EP 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-20050282808-A1 Benzofuran derivative F12, F2, F11 CNR2 619/4885CNR1 408/4885FAAH 1807/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 CNR2 603/4885CNR1 391/4885FAAH 1763/4885

“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.