SCHEMBL7217564

SCHEMBL7217564

Nc1ccc(CN2C(=O)CCC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.62
CA2 P00918 2/20 0.62
CA9 Q16790 2/20 0.62
CA12 O43570 1/20 0.62
POLB P06746 1/20 0.47
ALDH1A1 P00352 2/20 0.47
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
ATAD2 Q6PL18 1/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.42
CA4 P22748 1/20 0.42
MEN1 O00255 1/20 0.41
CYP19A1 P11511 2/20 0.41
GFER P55789 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
SCHEMBL9308514 0.82 POLB (0.77) CA1CA2CA9CA12POLB
SCHEMBL28548456 0.81 CA12 (0.59) CA1CA2CA9CA12POLB
SCHEMBL40711 0.79 KMT2A (0.59) CA1CA2CA9CA12POLB
SCHEMBL19002513 0.79 ALDH1A1 (0.66) CA1CA2CA9CA12POLB
SCHEMBL5767794 0.79 CA12 (0.58) CA1CA2CA9CA12POLB
SCHEMBL19049363 0.79 CA12 (0.53) CA1CA2CA9CA12POLB
SCHEMBL290791 0.78 POLB (0.70) CA1CA2CA9CA12POLB
SCHEMBL5311390 0.77 GSK3A (0.69) CA1CA2CA9CA12POLB
SCHEMBL6607455 0.77 CA12 (0.47) CA1CA2CA9CA12POLB
SCHEMBL15704375 0.77 MGLL (0.78) CA1CA2CA9ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 US disclosed
US-20020128308-A1 Benzothiepine derivatives, their production and use YASUMA TSUNEO (JP) 2002-09-12 US disclosed
US-6355672-B1 BONE DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
EP-1103552-A1 BENZOTHIEPIN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-05-30 EP 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-20020128308-A1 Benzothiepine derivatives, their production and use APP, BMP1, BACE1 CA1 1369/4885CA2 1053/4885CA9 1955/4885

“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.