SCHEMBL7217161

SCHEMBL7217161

Nc1ccc(CC2OC(=O)NC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.49
GSK3B P49841 1/20 0.45
CA2 P00918 1/20 0.36
GFER P55789 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP19A1 P11511 4/20 0.34
CYP26A1 O43174 2/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
BRD4 O60885 1/20 0.33
TBXA2R P21731 1/20 0.33
CRBN Q96SW2 2/20 0.33
DDB1 Q16531 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ELANE P08246 1/20 0.32
HTR6 P50406 1/20 0.32

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
SCHEMBL8172579 0.83 MAPT (0.46) MAPTGSK3BCA2GFERALDH1A1
SCHEMBL7987893 0.83 CAPN1 (0.41) MAPTCA2CYP26A1
SCHEMBL11262445 0.83 MDM2 (0.44) CA2
SCHEMBL8181670 0.82 MAPT (0.40) MAPTCA2ALDH1A1BRD4CRBN
SCHEMBL8312946 0.81 CYP4F2 (0.39) CA2BRD4CYP4F2CYP4A11
SCHEMBL8172888 0.78 DDB1 (0.43) CA2ALDH1A1CRBNDDB1
SCHEMBL8186457 0.76 GRM5 (0.42) CA2BRD4
SCHEMBL8182108 0.76 ALDH1A1 (0.41) MAPTCA2ALDH1A1CYP3A4CRBN
SCHEMBL8181635 0.76 CA2 (0.41) CA2BRD4
SCHEMBL9373042 0.76 ALDH1A1 (0.34) MAPTCA2ALDH1A1TSHRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552054-B1 For prophylaxis and therapy of bone diseases and chondropathy TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-04-22 US disclosed
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
EP-1211251-A1 CHROMONE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-06-05 EP 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 MAPT 331/4885GSK3B 1206/4885CA2 1053/4885

“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.