SCHEMBL3582628

SCHEMBL3582628

O=C1OCC(c2cc(F)cc(C(F)(F)F)c2)N1c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLQ O75417 3/20 0.40
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
QPCT Q16769 11/20 0.38
CETP P11597 1/20 0.35
TACR1 P25103 2/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TLR8 Q9NR97 1/20 0.34

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
SCHEMBL3582625 1.00 POLQ (0.40) POLQHDAC1HDAC8HDAC6QPCT
SCHEMBL3584778 0.87 HDAC1 (0.41) POLQHDAC1HDAC8HDAC6QPCT
SCHEMBL3584776 0.87 HDAC1 (0.41) POLQHDAC1HDAC8HDAC6QPCT
SCHEMBL3599107 0.82 ALDH1A1 (0.40) HDAC1HDAC8HDAC6CETPTACR1
SCHEMBL13168103 0.78 TNKS (0.44) HDAC1HDAC8HDAC6QPCTALDH1A1
SCHEMBL4747353 0.78 KMT2A (0.52) ALDH1A1
SCHEMBL14161693 0.78 QPCT (0.39) HDAC1HDAC8HDAC6QPCTALDH1A1
SCHEMBL3590404 0.77 TLR8 (0.34) CETPLMNATLR8
SCHEMBL3596633 0.76 ALDH1A1 (0.39) POLQHDAC1HDAC8HDAC6QPCT
SCHEMBL3592622 0.76 ALDH1A1 (0.39) POLQHDAC1HDAC8HDAC6QPCT

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-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
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 POLQ 4009/4885HDAC1 605/4885HDAC8 1390/4885
US-20100234365-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY CNR1, CNR2, FAAH POLQ 4009/4885HDAC1 605/4885HDAC8 1390/4885

“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.