SCHEMBL3655880

SCHEMBL3655880

O=C(O)NCCN(C(=O)CBr)c1cccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 1/20 0.55
ALDH1A1 P00352 7/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
PTPN1 P18031 1/20 0.40
TSHR P16473 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SIGMAR1 Q99720 2/20 0.38
MTNR1A P48039 1/20 0.36
GSK3B P49841 1/20 0.35
HPGD P15428 1/20 0.35
CA12 O43570 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL3758109 0.82 TP53 (0.52) MMP9ALDH1A1LMNANPSR1KMT2A
SCHEMBL7066322 0.71 L3MBTL1 (0.54) MMP9ALDH1A1LMNANPSR1HTT
SCHEMBL11220240 0.70 RAB9A (0.60) MMP9ALDH1A1LMNANPSR1HTT
SCHEMBL3723967 0.69 MMP9 (0.55) MMP9ALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL29076347 0.68 MMP9 (0.46) MMP9ALDH1A1LMNANPSR1HTT
SCHEMBL3216842 0.67 MMP9 (0.47) MMP9ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL14229516 0.67 TP53 (0.50) MMP9ALDH1A1LMNANPSR1RAB9A
SCHEMBL1567114 0.66 MTNR1A (0.73) KMT2APTPN1MTNR1ACA12CA9
SCHEMBL3807502 0.66 SIGMAR1 (0.62) MMP9ALDH1A1LMNANPSR1HTT
SCHEMBL16487448 0.66 SIGMAR1 (0.50) MMP9ALDH1A1RAB9AKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2010-12-09 US disclosed
EP-2212300-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS Glaxo Group Limited (GB) 2010-08-04 EP disclosed
WO-2009053459-A1 4-BENZ0YL-1-SUBSTITUTED-PIPERAZIN-2-0NE DERIVATIVES AS P2X7 MODULATORS GLAXO GROUP LIMITED (GB) 2009-04-30 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-20100311749-A1 4-BENZOYL-1-SUBSTITUTED-PIPERAZIN-2-ONE DERIVATIVES AS P2X7 MODULATORS P2RX7, P2RX3, P2RX2 MMP9 1472/4885ALDH1A1 3763/4885LMNA 4310/4885

“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.