SCHEMBL3590528

SCHEMBL3590528

O=C1OCC(c2cccc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)nn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
POLQ O75417 1/20 0.36
QPCT Q16769 11/20 0.35
TEAD1 P28347 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
IDH1 O75874 1/20 0.33

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
SCHEMBL3590524 1.00 HDAC1 (0.39) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3596630 0.86 ALDH1A1 (0.39) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3596633 0.86 ALDH1A1 (0.39) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3584776 0.86 HDAC1 (0.41) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3584778 0.86 HDAC1 (0.41) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3592622 0.85 ALDH1A1 (0.39) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3592628 0.85 ALDH1A1 (0.39) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3582713 0.80 LMNA (0.45) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3582709 0.80 LMNA (0.45) HDAC1HDAC8HDAC6NPBWR1MCHR1
SCHEMBL3601645 0.78 IDH1 (0.38) HDAC8HDAC6NPBWR1MCHR1POLQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US claimed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US claimed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP claimed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 WO claimed
US-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2013-08-15 US disclosed
US-8431607-B2 Compounds and compositions as inhibitors of cannabinoid receptor 1 activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2013-04-30 US disclosed
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2010-09-16 US disclosed
EP-2121598-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2009-11-25 EP disclosed
WO-2008076754-A2 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-06-26 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 (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-20130210769-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HDAC1 605/4885HDAC8 1390/4885HDAC6 1713/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH HDAC1 605/4885HDAC8 1390/4885HDAC6 1713/4885

“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.