SCHEMBL21144784

SCHEMBL21144784

N#Cc1ccc(CC(CN2C(=O)c3ccccc3C2=O)NC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.44
MMP9 P14780 2/20 0.44
MMP3 P08254 1/20 0.43
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
MME P08473 1/20 0.40
DRD2 P14416 2/20 0.40
DRD3 P35462 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
CA12 O43570 2/20 0.39
CA9 Q16790 2/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
POLB P06746 1/20 0.39
TNF P01375 1/20 0.38
MAPK1 P28482 1/20 0.38
SDCBP O00560 1/20 0.38

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
SCHEMBL21144781 1.00 MMP2 (0.44) MMP2MMP9MMP3ADRA1DADRA1A
SCHEMBL16165445 0.87 ALDH1A1 (0.50) HDAC1HDAC7CA12CA9ALDH1A1
SCHEMBL3462462 0.85 ALDH1A1 (0.52) MMP2MMP9HDAC1HDAC7CA12
SCHEMBL21144967 0.84 MME (0.40) MMEHDAC1HDAC7ALDH1A1GAA
SCHEMBL21144964 0.84 MME (0.40) MMEHDAC1HDAC7ALDH1A1GAA
SCHEMBL18930770 0.84 ATM (0.47) MMP2MMP3DRD2DRD3
SCHEMBL23357135 0.82 HDAC1 (0.46) HDAC1HDAC7CA12CA9ALDH1A1
SCHEMBL23357132 0.82 HDAC1 (0.46) HDAC1HDAC7CA12CA9ALDH1A1
SCHEMBL3461351 0.80 GSK3B (0.46) HDAC1HDAC7ALDH1A1GAAPOLB
SCHEMBL19182383 0.78 ALDH1A1 (0.43) DRD3HDAC1HDAC7CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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 (2 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L MMP2 4044/4885MMP9 3503/4885MMP3 4298/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MMP2 4044/4885MMP9 3503/4885MMP3 4298/4885

“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.