SCHEMBL7122675

SCHEMBL7122675

CC(=O)Nc1csc(Oc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3N4)cc2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.34
MMP7 P09237 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 1/20 0.34
EZH2 Q15910 4/20 0.34
P2RY14 Q15391 1/20 0.34
HTT P42858 3/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMYD3 Q9H7B4 1/20 0.32
POLB P06746 1/20 0.32
GRM5 P41594 1/20 0.32
MMP1 P03956 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 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
SCHEMBL7125251 0.88 MMP2 (0.36) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7116316 0.87 EZH2 (0.37) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7124977 0.86 MMP2 (0.41) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123997 0.85 HTR4 (0.40) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7113591 0.84 MMP2 (0.39) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7127666 0.83 MMP2 (0.35) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7122463 0.82 CHRNA7 (0.36) EZH2HTTMAPTALDH1A1ABL1
SCHEMBL7127574 0.82 SCN9A (0.38) MMP2MMP7MMP9MMP13MAPT
SCHEMBL7127352 0.82 EPHX2 (0.40) MMP2MMP7MMP9MMP13EZH2
SCHEMBL7123882 0.82 MMP2 (0.35) 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 1 patent. 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

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.