SCHEMBL3487579

SCHEMBL3487579

COC(=O)NCCOc1cc(C(=O)OC)ccc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.45
HSP90AA1 P07900 2/20 0.45
NPC1 O15118 1/20 0.45
NOTUM Q6P988 1/20 0.43
MAPT P10636 3/20 0.42
KMT2A Q03164 5/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
XDH P47989 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39

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
SCHEMBL13461338 0.89 HSP90AA1 (0.45) HSP90AA1NPC1KMT2AMEN1TP53
SCHEMBL3487352 0.89 TSHR (0.46) HSP90AA1NPC1KMT2AMEN1TP53
SCHEMBL31500913 0.89 CA12 (0.48) MGLLHSP90AA1NPC1NOTUMCA12
SCHEMBL13434509 0.88 HSP90AA1 (0.44) HSP90AA1NPC1KMT2AMEN1TP53
SCHEMBL13433977 0.83 TDP1 (0.51) NPC1MAPTKMT2AMEN1TDP1
SCHEMBL1344274 0.83 MAPT (0.50) NOTUMMAPTKMT2ATP53CA12
SCHEMBL15994552 0.83 NOTUM (0.47) NPC1NOTUMMAPTKMT2ACA12
SCHEMBL4913133 0.83 NOTUM (0.47) NOTUMMAPTKMT2AMEN1TP53
SCHEMBL3901339 0.83 MAPT (0.48) MGLLNOTUMMAPTKMT2AMEN1
SCHEMBL14930286 0.82 ESR1 (0.52) MGLLNPC1NOTUMMAPTTDP1

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
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
US-20100056497-A1 AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2010-03-04 US disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 EP disclosed
EP-2119702-A1 AMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2009-11-18 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 (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-20100056497-A1 AMIDE DERIVATIVE REN, AGTR1, AGTR2 MGLL 2729/4885HSP90AA1 2107/4885NPC1 1212/4885

“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.