SCHEMBL21676597

SCHEMBL21676597

N#Cc1ccc(C[C@@H](N)CN2C(=O)c3ccccc3C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.45
MMP3 P08254 1/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
DPP4 P27487 1/20 0.42
MMP9 P14780 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
NR1H3 Q13133 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MDM2 Q00987 1/20 0.38
CASP3 P42574 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.38
CA1 P00915 1/20 0.38
TNF P01375 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
Hydrochloric Acid SCHEMBL18920618 0.99 MMP2 (0.44) MMP2MMP3ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL21144742 0.99 MMP2 (0.44) MMP2MMP3ADRA1DADRA1AADRA1B
SCHEMBL2370243 0.84 EPHX1 (0.53) CA12CA9TDP1ALDH1A1CASP3
SCHEMBL1529483 0.84 EPHX1 (0.53) CA12CA9TDP1ALDH1A1CASP3
SCHEMBL1529481 0.84 EPHX1 (0.53) CA12CA9TDP1ALDH1A1CASP3
Hydrochloric Acid SCHEMBL4778820 0.82 EPHX1 (0.52) CA12CA9TDP1ALDH1A1CASP3
Hydrochloric Acid SCHEMBL1529614 0.82 EPHX1 (0.52) CA12CA9TDP1ALDH1A1CASP3
Hydrochloric Acid SCHEMBL4783273 0.82 EPHX1 (0.52) CA12CA9TDP1ALDH1A1CASP3
Hydrochloric Acid SCHEMBL29574342 0.82 EPHX1 (0.52) CA12CA9TDP1ALDH1A1CASP3
SCHEMBL1529725 0.81 CASP3 (0.57) ADRA1DADRA1AADRA1BALDH1A1CASP3

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-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

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MMP2 4044/4885MMP3 4298/4885ADRA1D 1546/4885

“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.