SCHEMBL6607872

SCHEMBL6607872

O=C(Nc1cc[c]cc1)c1ncco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.42
HDAC4 P56524 5/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC7 Q8WUI4 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC10 Q969S8 5/20 0.42
HDAC11 Q96DB2 5/20 0.42
HDAC8 Q9BY41 5/20 0.42
HDAC6 Q9UBN7 5/20 0.42
HDAC9 Q9UKV0 5/20 0.42
HDAC5 Q9UQL6 5/20 0.42
TLK2 Q86UE8 1/20 0.39
FAAH O00519 2/20 0.38
RAB9A P51151 7/20 0.36
NPC1 O15118 6/20 0.36
TP53 P04637 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 2/20 0.36

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
SCHEMBL9779981 0.83 RAB9A (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6607868 0.74 FAAH (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6686490 0.73 GRM4 (0.61) HDAC6RAB9ANPC1TP53ALDH1A1
SCHEMBL24473978 0.72 SMO (0.58) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2522953 0.71
SCHEMBL883844 0.70 RAB9A (0.72) RAB9ANPC1TP53MAPTKDM4E
SCHEMBL5898991 0.70 GRM4 (0.60) HDAC6RAB9ANPC1TP53MAPT
SCHEMBL4538623 0.70
SCHEMBL6959169 0.70
SCHEMBL6959166 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1582287-A Thiophenylthiopyrane dioxides as MMP or TNF-alpha inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2005-02-16 CN claimed
US-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-30 US claimed
EP-1423386-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-02 EP claimed
WO-2003022842-A1 THIOPHENYLTHIOPYRANE DIOXIDES AS MMP OR TNF-ALPHA INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-20 WO claimed
CN-1043344-C New heterocyclic compounds KRONSEDER MASCHF KRONES (JP) 1999-05-12 CN claimed

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-20040266826-A1 Thiophenylthiopyrane dioxides as mmp or tnf-alpha inhibitors TNF, MMP9, MMP1 HDAC3 676/4885HDAC4 1530/4885HDAC1 487/4885

“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.