SCHEMBL4008772

SCHEMBL4008772

O=C1NCC[C@H]1NCc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
BACE1 P56817 1/20 0.38
OPRL1 P41146 1/20 0.38
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
FPR2 P25090 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
ALDH2 P05091 1/20 0.35
HTR1D P28221 1/20 0.34
TGM2 P21980 1/20 0.34
FPR3 P25089 1/20 0.34

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
SCHEMBL4013822 0.91 VEGFA (0.43) KDM1ABCHEACHEBACE1VEGFA
SCHEMBL4002909 0.90 VEGFA (0.47) VEGFAEGLN1FPR2
SCHEMBL4007580 0.90 VEGFA (0.47) VEGFAEGLN1FPR2
SCHEMBL15398330 0.84 VEGFA (0.49) KDM1APDCD1LG2CD274BCHEACHE
SCHEMBL3744061 0.84 VEGFA (0.49) KDM1APDCD1LG2CD274BCHEACHE
SCHEMBL1347137 0.82 VEGFA (0.46) PDCD1LG2CD274BCHEACHEBACE1
SCHEMBL23727736 0.79 SMN1; SMN2 (0.43) KDM1AVEGFAEGLN1FPR2ALDH2
SCHEMBL27662552 0.79 VEGFA (0.41) KDM1APDCD1LG2CD274VEGFAEGLN1
SCHEMBL1347013 0.79 KDM1A (0.44) KDM1APDCD1LG2CD274VEGFAEGLN1
SCHEMBL7369862 0.78 FFAR1 (0.51) KDM1A

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 KDM1A 866/4885PDCD1LG2 4881/4885CD274 4876/4885

“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.