SCHEMBL7123875

SCHEMBL7123875

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccc(Oc2ccncc2Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.40
MAPK14 Q16539 2/20 0.40
NAAA Q02083 1/20 0.37
MMP2 P08253 1/20 0.36
MMP7 P09237 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CYP46A1 Q9Y6A2 1/20 0.35
CYP3A4 P08684 1/20 0.34
GRM5 P41594 1/20 0.34
F10 P00742 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC6A3 Q01959 2/20 0.33
SLC6A4 P31645 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL7121712 0.93 EZH2 (0.41) EZH2MAPK14NAAAMMP2MMP7
SCHEMBL7122570 0.85 EZH2 (0.55) EZH2MAPK14MMP2MMP7MMP9
SCHEMBL6310966 0.82 MAPK14 (0.44) EZH2MAPK14NAAAMMP2MMP7
SCHEMBL7122551 0.82 EZH2 (0.40) EZH2MAPK14MMP2MMP7MMP9
SCHEMBL6306267 0.82 EZH2 (0.40) EZH2MAPK14NAAAMMP2MMP7
SCHEMBL7124966 0.82 SLC6A4 (0.46) MAPK14MMP2MMP7MMP9MMP13
SCHEMBL7121872 0.81 KCNQ3 (0.46) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7124913 0.81 MMP2 (0.39) NAAAMMP2MMP7MMP9MMP13
SCHEMBL7124235 0.81 MMP2 (0.36) EZH2MMP2MMP7MMP9MMP13
SCHEMBL7115042 0.80 L3MBTL1 (0.41) EZH2MAPK14MMP2MMP7MMP9

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 3088/4885NAAA 4326/4885

“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.