SCHEMBL7511041

SCHEMBL7511041

O=C(O)[C@@H](Br)Cc1ncc[nH]1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.46
TAAR1 Q96RJ0 6/20 0.41
FDPS P14324 1/20 0.40
FPR2 P25090 1/20 0.39
GAA P10253 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALOX15 P16050 1/20 0.38
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
HTR1A P08908 1/20 0.36
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TERT O14746 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
SCHEMBL5185101 1.00 TBXAS1 (0.46) TBXAS1TAAR1FDPSFPR2GAA
SCHEMBL11456188 0.81 TBXAS1 (0.49) TBXAS1TAAR1FDPSFPR2GAA
SCHEMBL334040 0.80 TBXAS1 (0.47) TBXAS1TAAR1FDPSFPR2GAA
SCHEMBL9554662 0.80 TBXAS1 (0.47) TBXAS1TAAR1FDPSFPR2GAA
SCHEMBL24834446 0.79 GRIA2 (0.51) TBXAS1TAAR1FDPSFPR2ALOX15
SCHEMBL781663 0.79 GRIA2 (0.51) TBXAS1TAAR1FDPSFPR2ALOX15
SCHEMBL3838965 0.79 GRIA2 (0.51) TBXAS1TAAR1FDPSFPR2ALOX15
SCHEMBL30426597 0.77
Hydrochloric Acid SCHEMBL11090438 0.76 GRIA1 (0.49) TBXAS1TAAR1FDPSFPR2ALOX15
SCHEMBL4688922 0.75 TBXAS1 (0.43) TBXAS1TAAR1FDPSFPR2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors AMERICAN CYANAMID COMPANY (US) 2002-01-17 US 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-20020006922-A1 N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors MMP12, ADAM33, MMP2 TBXAS1 686/4885TAAR1 3245/4885FDPS 941/4885

“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.