SCHEMBL3590133

SCHEMBL3590133

Nc1cccc2c1NC(=O)C(N1CC[C@H](F)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 8/20 0.41
DDB1 Q16531 4/20 0.36
TNF P01375 2/20 0.36
IL1B P01584 2/20 0.36
IKZF1 Q13422 2/20 0.36
IKZF3 Q9UKT9 2/20 0.36
BRD4 O60885 1/20 0.36
TBXA2R P21731 1/20 0.35
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
MEN1 O00255 1/20 0.34
APEX1 P27695 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ROCK2 O75116 1/20 0.33
SLC18A3 Q16572 3/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3592417 0.86 CRBN (0.40) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3590132 0.85 CRBN (0.37) CRBNDRD2DRD4MEN1APEX1
SCHEMBL3607361 0.84 MEN1 (0.40) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3601780 0.83 TSHR (0.43) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3595638 0.82 TSHR (0.46) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3604103 0.81 CRBN (0.41) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3599721 0.81 DRD2 (0.39) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3593851 0.81 DRD2 (0.41) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3599656 0.81 CRBN (0.37) CRBNDDB1TNFIL1BIKZF1
SCHEMBL3589354 0.80 CRBN (0.41) CRBNDDB1TNFIL1BIKZF1

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CRBN 762/4885DDB1 1855/4885TNF 4062/4885

“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.