SCHEMBL21144783

SCHEMBL21144783

CC(=O)NCC(Cc1ccc(C#N)cc1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
TPH1 P17752 1/20 0.39
MAOB P27338 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL21144780 1.00 ACACB (0.43) ACACBMEN1KMT2AMTNR1AMTNR1B
SCHEMBL21169923 0.83 ATM (0.53) ACACBCTSSCTSK
SCHEMBL6755634 0.83 MTNR1A (0.60) MTNR1AMTNR1BCTSSCTSK
SCHEMBL18920691 0.81 MAPK1 (0.47) MEN1KMT2ACTSKMAOBEPHX2
SCHEMBL21144850 0.81 MAPK1 (0.47) MEN1KMT2ACTSKMAOBEPHX2
SCHEMBL23357210 0.81 MAPK1 (0.47) MEN1KMT2ACTSKMAOBEPHX2
SCHEMBL18920557 0.80 CTSC (0.44) TPH1MAOB
SCHEMBL21144620 0.80 CTSC (0.44) TPH1MAOB
SCHEMBL21144679 0.80 MME (0.38) MEN1KMT2ACTSKMAOB
SCHEMBL21144676 0.80 MME (0.38) MEN1KMT2ACTSKMAOB

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 ACACB 840/4885MEN1 3651/4885KMT2A 785/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L ACACB 840/4885MEN1 3651/4885KMT2A 785/4885

“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.