SCHEMBL3483399

SCHEMBL3483399

NC(=O)c1cccc(CCBr)c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HMGB1 P09429 1/20 0.38
FOLH1 Q04609 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.37
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
METAP2 P50579 1/20 0.36
PTPN1 P18031 1/20 0.36
GAA P10253 1/20 0.36
MAPK8 P45983 1/20 0.35
CD38 P28907 1/20 0.35
BCAT2 O15382 1/20 0.35
PARP1 P09874 4/20 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
SCHEMBL308732 0.90 MEN1 (0.36) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL27461956 0.90 FOLH1 (0.45) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL2778138 0.88 BID (0.38) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28457170 0.87 BID (0.40) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28453652 0.87 BID (0.40) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL8652707 0.84 HMGB1 (0.54) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL27784726 0.84 SIRT1 (0.43) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL1337735 0.83 ALDH1A1 (0.47) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL1063004 0.82 BID (0.41) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL28204613 0.81 PARP1 (0.39) KDM4EALDH1A1MAPTHPGDTSHR

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-7687070-B2 Reagents for intracellular delivery of macromolecules Life Technologies Corporation (US) 2010-03-30 US disclosed
US-6989434-B1 Reagents for intracellular delivery of macromolecules INVITROGEN CORPORATION (US) 2006-01-24 US disclosed
US-20050260757-A1 Novel reagents for intracellular delivery of macromolecules INVITROGEN COROPORATION (US) 2005-11-24 US disclosed
CN-1143675-C Heteroarylpiperidines, pyrrolidines and piprazines and their use as antipsychotics and analgetics ���µ�˹ҩ�﹫˾ 2004-03-31 CN disclosed
US-6075012-A TRANSFECTION LIFE TECHNOLOGIES, INC. (US) 2000-06-13 US disclosed
CN-1136275-A Arylheterocyclylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics HOECHST ROUSSEL PHARMA (US) 1996-11-20 CN 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-20050260757-A1 Novel reagents for intracellular delivery of macromolecules NPC1L1, CETP, LIPA KDM4E 3854/4885ALDH1A1 4440/4885MAPT 2391/4885

“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.