SCHEMBL6835231

SCHEMBL6835231

CN1c2ccc(C(=O)NCc3ccc(F)cc3)cc2C(=O)C(Cc2ccc(Cl)cc2)[S+]1[O-]

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
DRD2 P14416 6/20 0.43
DRD3 P35462 2/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
RORC P51449 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR7 P34969 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
SCHEMBL6831716 0.92 MAPT (0.42) MAPTTP53THRBDRD2DRD3
SCHEMBL6835389 0.91 THRB (0.48) MAPTTP53THRBDRD2DRD3
SCHEMBL6834726 0.91 EPHX2 (0.43) MAPTTP53THRBDRD2DRD3
SCHEMBL6831861 0.91 HTR7 (0.47) MAPTTP53THRBDRD2DRD3
SCHEMBL6831784 0.91 PPARG (0.42) MAPTTP53THRBDRD2DRD3
SCHEMBL6835489 0.90 SMN1; SMN2 (0.51) MAPTDRD2MEN1KMT2ASMN1; SMN2
SCHEMBL6835596 0.89 DRD2 (0.45) MAPTTP53THRBDRD2DRD3
SCHEMBL6669286 0.86 ALDH1A1 (0.54) DRD2MEN1KMT2AGAARORC
SCHEMBL6837172 0.84 ALDH1A1 (0.45) MAPTDRD2MEN1KMT2APOLB
SCHEMBL6835647 0.83 ALDH1A1 (0.47) MAPTDRD2DRD3MEN1KMT2A

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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 US claimed
US-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors HICKS JAMES LESTER (US) 2004-03-04 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-20040043985-A1 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors MMP13, MMP26, MMP9 MAPT 2365/4885TP53 4473/4885THRB 3648/4885

“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.