SCHEMBL841589

SCHEMBL841589

CC(N)c1ccc(C(=O)N2CCOCC2)c(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.48
HSP90AA1 P07900 2/20 0.47
HSP90AB1 P08238 2/20 0.47
ATM Q13315 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CNR1 P21554 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
GLA P06280 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL27797637 0.87 ERN1 (0.48) ERN1HSP90AA1HSP90AB1ATMRXFP1
SCHEMBL27797639 0.85 ERN1 (0.52) ERN1HSP90AA1HSP90AB1ATMRXFP1
SCHEMBL18354452 0.79 ERN1 (0.57) ERN1CNR1GLAKMT2AHTT
SCHEMBL840118 0.77 KMT2A (0.58) ERN1CNR1GLAKMT2AHTT
SCHEMBL19651851 0.74 HSP90AA1 (0.53) HSP90AA1HSP90AB1ATMRXFP1CNR1
SCHEMBL26824427 0.74 HSP90AA1 (0.68) HSP90AA1HSP90AB1ATMRXFP1KMT2A
SCHEMBL9182973 0.74 HSD17B10 (0.47) CA12CA1CA2CA3CA4
SCHEMBL25085606 0.73 MAPT (0.54) HSP90AA1HSP90AB1ATMRXFP1CNR1
SCHEMBL12546101 0.73 MAPT (0.57) HSP90AA1HSP90AB1ATMRXFP1CNR1
SCHEMBL31661720 0.72 ALDH1A1 (0.67) ERN1CNR1KMT2AALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI ERN1 710/4885HSP90AA1 4476/4885HSP90AB1 4447/4885

“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.