SCHEMBL4936922

SCHEMBL4936922

O=C(C1CCN(c2ccc(=O)[nH]n2)CC1)N1CCN(S(=O)(=O)C=Cc2ccc(Br)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.44
SMO Q99835 1/20 0.43
MAPT P10636 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
LSS P48449 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL4936912 1.00 F10 (0.44) F10SMOMAPTHRH3LSS
SCHEMBL4941341 0.75 SMO (0.47) F10SMOMAPTHRH3LSS
SCHEMBL4941337 0.75 SMO (0.47) F10SMOMAPTHRH3LSS
SCHEMBL4939613 0.74 F10 (0.45) F10MAPTHRH3LSSSMN1; SMN2
SCHEMBL4939605 0.74 F10 (0.45) F10MAPTHRH3LSSSMN1; SMN2
Hydrochloric Acid SCHEMBL4941484 0.73 SMO (0.52) SMOMAPTHRH3LSSMEN1
SCHEMBL4941338 0.73 SMO (0.47) F10SMOMAPTHRH3LSS
SCHEMBL4932706 0.68 HRH3 (0.56) SMOMAPTHRH3KMT2A
SCHEMBL4938153 0.67 SMO (0.49) F10SMOMAPTKMT2ASMN1; SMN2
SCHEMBL4881800 0.67 SMO (0.49) F10SMOHRH3LSSSMN1; SMN2

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-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US claimed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 WO claimed
US-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa ASTRAZENECA AB (SE) 2008-09-04 US disclosed
WO-2007008143-A1 HETEROCYCLIC SULFONAMIDE DERIVATIVES AS INHIBITORS OF FACTOR XA ASTRAZENECA AB (SE) 2007-01-18 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-20080214495-A1 Heterocyclic Sulfonamide Derivatives as Inhibitors of Factor Xa F10, F12, F11 F10 1/4885SMO 1477/4885MAPT 4885/4885

“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.