SCHEMBL4013822

SCHEMBL4013822

O=C1NCCC[C@H]1NCc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
FPR2 P25090 1/20 0.42
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC5 Q9UQL6 1/20 0.40
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
KDM1A O60341 1/20 0.38
RAB9A P51151 1/20 0.37
HTT P42858 1/20 0.37
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
CCR2 P41597 2/20 0.36
BCHE P06276 1/20 0.36

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
SCHEMBL4002909 0.96 VEGFA (0.47) VEGFAEGLN1FPR2HDAC1HDAC6
SCHEMBL4007580 0.96 VEGFA (0.47) VEGFAEGLN1FPR2HDAC1HDAC6
SCHEMBL4008772 0.91 KDM1A (0.40) VEGFAEGLN1FPR2KDM1ABCHE
SCHEMBL14272843 0.82 HDAC1 (0.47) VEGFAEGLN1HDAC1HDAC6HDAC8
SCHEMBL5567270 0.81 VEGFA (0.47) VEGFAEGLN1HDAC1HDAC6HDAC8
SCHEMBL7095007 0.81 VEGFA (0.61) VEGFAEGLN1FPR2HDAC1HDAC6
SCHEMBL5567663 0.77 ALDH1A1 (0.50) VEGFAEGLN1CCR2BCHEACHE
SCHEMBL1346755 0.77 HTR2C (0.55) VEGFAEGLN1KDM1ABCHE
SCHEMBL5989656 0.76 POLB (0.39) VEGFAEGLN1FPR2HDAC1HDAC6
SCHEMBL1346835 0.76 ALDH1A1 (0.44) KDM1APSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569562-B2 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2009-08-04 US claimed
EP-1838701-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2007-10-03 EP claimed
US-20060270657-A1 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. 2006-11-30 US claimed
WO-2006078753-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2006-07-27 WO claimed

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-20060270657-A1 N-substituted heterocyclic sulfonamides SULT2A1, PSEN1, PSEN2 VEGFA 4674/4885EGLN1 775/4885FPR2 439/4885

“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.