SCHEMBL7127436

SCHEMBL7127436

N#Cc1ccccc1Oc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 11/20 0.57
MAPK14 Q16539 4/20 0.51
KCNH2 Q12809 1/20 0.50
CYP3A4 P08684 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.45
EPHX2 P34913 1/20 0.42
LPAR1 Q92633 1/20 0.41
LPAR5 Q9H1C0 1/20 0.41
MMP2 P08253 1/20 0.41
MMP7 P09237 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41

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
SCHEMBL7120572 0.85 EPHX2 (0.49) EPHX2MMP2MMP7MMP9MMP13
SCHEMBL7122570 0.84 EZH2 (0.55) EZH2MAPK14PTGDR2LPAR1LPAR5
SCHEMBL7125236 0.84 PARP10 (0.47) EZH2LPAR1LPAR5MMP2MMP7
SCHEMBL7123411 0.84 MMP2 (0.43) EZH2MMP2MMP7MMP9MMP13
SCHEMBL7117157 0.84 EZH2 (0.56) EZH2MMP2MMP7MMP9MMP13
SCHEMBL7124896 0.84 MMP2 (0.57) EZH2KCNH2MMP2MMP7MMP9
SCHEMBL6306261 0.82 EZH2 (0.58) EZH2MAPK14KCNH2CYP3A4PTGDR2
SCHEMBL7123878 0.82 CTNNB1 (0.46) EZH2MMP2MMP7MMP9MMP13
SCHEMBL7125189 0.82 EZH2 (0.42) EZH2MMP2MMP7MMP9MMP13
SCHEMBL7114399 0.82 EZH2 (0.44) EZH2MMP2MMP7MMP9MMP13

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 EZH2 462/4885MAPK14 3088/4885KCNH2 1145/4885

“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.