SCHEMBL3908952

SCHEMBL3908952

COc1ccc(Cl)cc1-c1ncc(Br)c(Cl)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.48
AGPAT2 O15120 7/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
TSHR P16473 1/20 0.46
STAT3 P40763 1/20 0.46
RAB9A P51151 1/20 0.46
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 2/20 0.43
AMY1A P0DUB6 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
MAPT P10636 1/20 0.40
USP2 O75604 1/20 0.40
PRNP P04156 1/20 0.40
PPARG P37231 1/20 0.40

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
SCHEMBL3911655 0.86 AGPAT2 (0.48) RECQLAGPAT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL3908812 0.78 IDO1 (0.45) AGPAT2ALDH1A1SMN1; SMN2NPC1TSHR
SCHEMBL29196619 0.76 RECQL (0.49) RECQLAGPAT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL30855384 0.76 RECQL (0.49) RECQLAGPAT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL8344312 0.75 MAPT (0.46) RECQLAGPAT2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL4279053 0.73 RECQL (0.60) RECQLAGPAT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL29108450 0.73 SMN1; SMN2 (0.47) RECQLAGPAT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL3908845 0.72 RECQL (0.49) RECQLAGPAT2ALDH1A1SMN1; SMN2NPC1
SCHEMBL7699644 0.72 ALDH1A1 (0.56) RECQLAGPAT2ALDH1A1SMN1; SMN2KDM4E
SCHEMBL9566471 0.71 RECQL (0.78) RECQLAGPAT2ALDH1A1SMN1; SMN2KDM4E

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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
US-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2009-10-01 US disclosed
EP-2024333-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE Cancer Research Technology Limited (GB) 2009-02-18 EP disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 WO disclosed
WO-2007125331-A2 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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-20090247519-A1 AMINO-ETHYL-AMINO-ARYL (AEAA) COMPOUNDS AND THEIR USE PKD2, PKD1, AADAT RECQL 3415/4885AGPAT2 238/4885ALDH1A1 1832/4885

“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.