SCHEMBL4002909

SCHEMBL4002909

O=C1NCCCC[C@H]1NCc1ccc(Br)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.47
EGLN1 Q9GZT9 1/20 0.47
FPR2 P25090 1/20 0.46
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
CCR2 P41597 7/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
NPC1 O15118 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
SCHEMBL4007580 1.00 VEGFA (0.47) VEGFAEGLN1FPR2RAB9AHTT
SCHEMBL4013822 0.96 VEGFA (0.43) VEGFAEGLN1FPR2RAB9AHTT
SCHEMBL4008772 0.90 KDM1A (0.40) VEGFAEGLN1FPR2
SCHEMBL5567270 0.86 VEGFA (0.47) VEGFAEGLN1RAB9AHTTCCR2
SCHEMBL7095007 0.85 VEGFA (0.61) VEGFAEGLN1FPR2RAB9AHTT
SCHEMBL5567663 0.81 ALDH1A1 (0.50) VEGFAEGLN1CCR2ALDH1A1KDM4E
SCHEMBL5989656 0.80 POLB (0.39) VEGFAEGLN1FPR2RAB9AHDAC1
SCHEMBL3455133 0.78 VEGFA (0.46) VEGFAEGLN1RAB9AHTTCCR2
SCHEMBL14272843 0.78 HDAC1 (0.47) VEGFAEGLN1HDAC1HDAC8HDAC6
SCHEMBL1347170 0.77 HTR2C (0.51) VEGFAEGLN1KDM4E

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 8 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
US-7569562-B2 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. (US) 2009-08-04 US disclosed
EP-1838701-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES Elan Pharmaceuticals Inc. (US) 2007-10-03 EP disclosed
US-20060270657-A1 N-substituted heterocyclic sulfonamides ELAN PHARMACEUTICALS, INC. 2006-11-30 US disclosed
WO-2006078753-A1 N-SUBSTITUTED HETEROCYCLIC SULFONAMIDES ELAN PHARMACEUTICALS, INC. (US) 2006-07-27 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 (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.