SCHEMBL7127490

SCHEMBL7127490

CC(=O)Nc1ncc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.34
MMP7 P09237 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADCY1 Q08828 2/20 0.33
EZH2 Q15910 1/20 0.31
POLB P06746 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
BTK Q06187 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7125184 0.87 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7121651 0.87 MMP13 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116966 0.86 ADCY1 (0.38) MMP2MMP7MMP9MMP13ADCY1
SCHEMBL7124043 0.85 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7127462 0.85 MMP2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7120613 0.84 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7124590 0.83 MMP2 (0.34) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7114474 0.82 EPHX2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116870 0.82 SCN9A (0.37) MMP2MMP7MMP9MMP13
SCHEMBL7113608 0.82 MMP2 (0.34) MMP2MMP7MMP9MMP13EZH2

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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 US claimed
US-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-04-10 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-20030069296-A1 Substituted-aryl 7-aza[2.2.1]bicycloheptanes for the treatment of disease CYP7B1, UGT2B7, CYP1B1 MMP2 3731/4885MMP7 2061/4885MMP9 3029/4885

“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.