SCHEMBL4967338

SCHEMBL4967338

ClCCc1cc(Cl)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
HIF1A Q16665 4/20 0.39
IDO1 P14902 4/20 0.39
CYP3A4 P08684 3/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
SLC22A1 O15245 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSPD1 P10809 1/20 0.39
HSPA5 P11021 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL2560634 0.89 NOS3 (0.44) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL12713145 0.83 NOS3 (0.41) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL17332138 0.82 NOS3 (0.42) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL3657647 0.81 CYP3A4 (0.42) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL30360703 0.81 CYP3A4 (0.42) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL29960836 0.81 TAAR1 (0.52) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL196739 0.81 NOS3 (0.43) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL16268636 0.81 TAAR1 (0.52) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL25192903 0.80 NOS3 (0.37) NOS3NOS1NOS2HIF1AIDO1
SCHEMBL10748244 0.80 HSP90AA1 (0.38) ALOX15LMNAHSP90AA1BLMHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171737-A1 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-17 US disclosed
WO-2008073956-A2 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 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-20080171737-A1 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 NOS3 380/4885NOS1 283/4885NOS2 189/4885

“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.