SCHEMBL6835389

SCHEMBL6835389

CN1c2ccc(C(=O)NCc3ccc(F)cc3)cc2C(=O)C(Cc2cccc(Cl)c2)[S+]1[O-]

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
DRD2 P14416 4/20 0.44
HTR7 P34969 2/20 0.42
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 3/20 0.41
ROCK2 O75116 1/20 0.41
CNR1 P21554 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD3 P35462 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 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
SCHEMBL6835596 0.92 DRD2 (0.45) THRBDRD2HTR7TP53MAPT
SCHEMBL6835231 0.91 MAPT (0.47) THRBDRD2HTR7TP53POLB
SCHEMBL6831716 0.91 MAPT (0.42) THRBDRD2HTR7TP53MAPT
SCHEMBL6837107 0.90 RXFP1 (0.48) DRD2POLBMAPTROCK2SMN1; SMN2
SCHEMBL6834726 0.90 EPHX2 (0.43) THRBDRD2TP53MAPTSMN1; SMN2
SCHEMBL6831861 0.90 HTR7 (0.47) THRBDRD2HTR7TP53MAPT
SCHEMBL6831784 0.89 PPARG (0.42) THRBDRD2HTR7TP53MAPT
SCHEMBL6834741 0.85 ALDH1A1 (0.47) DRD2TP53POLBMAPTROCK2
SCHEMBL6669286 0.85 ALDH1A1 (0.54) DRD2ALDH1A1
SCHEMBL6835323 0.83 RXRA (0.39) MAPTALDH1A1

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 THRB 3648/4885DRD2 1883/4885HTR7 4332/4885

“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.