SCHEMBL3540405

SCHEMBL3540405

COc1ccc(COc2ccc(C(=O)CO)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.71
RAB9A P51151 4/20 0.71
NPC1 O15118 2/20 0.71
POLB P06746 1/20 0.71
MAPT P10636 4/20 0.66
ALDH1A1 P00352 2/20 0.66
HTT P42858 2/20 0.66
PLA2G4B P0C869 1/20 0.62
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
FFAR1 O14842 2/20 0.59
APP P05067 3/20 0.56
HPGD P15428 1/20 0.56
PARP10 Q53GL7 1/20 0.56
GAA P10253 1/20 0.55
PTPRC P08575 1/20 0.54
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
MAOB P27338 1/20 0.54

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
SCHEMBL26107451 0.87 MAOB (0.71) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL2099619 0.87 RAB9A (0.78) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL505810 0.86 HDAC3 (0.68) RAB9ANPC1MAPTALDH1A1PARP10
SCHEMBL13238323 0.86 SMN1; SMN2 (0.69) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL8557179 0.86 GSK3B (0.75) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL26106172 0.84 NR4A2 (0.71) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL26106274 0.84 NR4A2 (0.71) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL1960673 0.83 NR4A1 (0.72) SMN1; SMN2RAB9ANPC1MAPTALDH1A1
SCHEMBL933577 0.83 MAOB (0.76) SMN1; SMN2RAB9ANPC1POLBMAPT
SCHEMBL1186510 0.83 RAB9A (1.00) SMN1; SMN2RAB9ANPC1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7674823-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2010-03-09 US disclosed
US-20070238729-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-10-11 US disclosed
US-7226918-B2 DNA-PK inhibitors CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-06-05 US disclosed
US-20040192687-A1 Dna-pk inhibitors CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2004-09-30 US disclosed
EP-1417196-A1 DNA-PK INHIBITORS Cancer Research Technology Limited (GB) 2004-05-12 EP disclosed
WO-2003024949-A1 DNA-PK INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2003-03-27 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-20040192687-A1 Dna-pk inhibitors ATM, CHEK1, XRCC6 SMN1; SMN2 4291/4885RAB9A 4313/4885NPC1 2247/4885
US-20070238729-A1 DNA-PK INHIBITORS ATM, CHEK2, CHEK1 SMN1; SMN2 4287/4885RAB9A 4426/4885NPC1 2558/4885

“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.