SCHEMBL21144895

SCHEMBL21144895

CN(C)C[C@@H](Cc1ccc(C#N)cc1)NC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NSD2 O96028 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
HTT P42858 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MME P08473 1/20 0.39
CTSC P53634 2/20 0.39
KCNH2 Q12809 1/20 0.39
ACACB O00763 2/20 0.39
CTBP2 P56545 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACE P12821 1/20 0.38
HDAC4 P56524 2/20 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
SCHEMBL21144897 1.00 MAOB (0.44) MAOBALDH1A1HPGDNSD2SAE1
SCHEMBL21144709 0.84 MAOB (0.43) MAOBNSD2SAE1UBA2HTT
SCHEMBL21144706 0.84 MAOB (0.43) MAOBNSD2SAE1UBA2HTT
SCHEMBL21144850 0.82 MAPK1 (0.47) MAOBSAE1UBA2HTTLOXL2
SCHEMBL18920691 0.82 MAPK1 (0.47) MAOBSAE1UBA2HTTLOXL2
SCHEMBL23357210 0.82 MAPK1 (0.47) MAOBSAE1UBA2HTTLOXL2
SCHEMBL18930601 0.82 ATM (0.48) MAOB
SCHEMBL21496635 0.82 HDAC4 (0.49) MMEHDAC4HDAC6
SCHEMBL1570133 0.82 HDAC4 (0.49) MMEHDAC4HDAC6
SCHEMBL21144620 0.81 CTSC (0.44) MAOBSAE1UBA2HTTLOXL2

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
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 MAOB 1713/4885ALDH1A1 1538/4885HPGD 1285/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L MAOB 1713/4885ALDH1A1 1538/4885HPGD 1285/4885

“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.