SCHEMBL18128043

SCHEMBL18128043

C[C@H]1Oc2c(F)cc(F)cc2NC1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 4/20 0.44
BRD4 O60885 1/20 0.36
PDE3B Q13370 3/20 0.34
PDE3A Q14432 3/20 0.34
DRD2 P14416 4/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HTR1A P08908 1/20 0.33
DRD4 P21917 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
PGR P06401 2/20 0.33
NR3C1 P04150 1/20 0.33
NR3C2 P08235 1/20 0.33
CECR2 Q9BXF3 1/20 0.33

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
SCHEMBL30806796 1.00 PARP1 (0.44) PARP1BRD4PDE3BPDE3ADRD2
SCHEMBL16792483 1.00 PARP1 (0.44) PARP1BRD4PDE3BPDE3ADRD2
SCHEMBL31451527 0.85 PARP1 (0.42) PARP1BRD4PDE3BPDE3ATP53
SCHEMBL20138193 0.84 PARP1 (0.41) PARP1BRD4PDE3BPDE3ATP53
SCHEMBL18128289 0.84 PARP1 (0.41) PARP1BRD4PDE3BPDE3ADRD2
SCHEMBL18127967 0.84 PARP1 (0.41) PARP1BRD4PDE3BPDE3ADRD2
SCHEMBL20138001 0.84 PARP1 (0.41) PARP1BRD4PDE3BPDE3ADRD2
SCHEMBL18128016 0.84 PARP1 (0.41) PARP1BRD4PDE3BPDE3ADRD2
SCHEMBL20138195 0.84 PARP1 (0.41) PARP1BRD4PDE3BPDE3ATP53
SCHEMBL532517 0.81 PARP1 (0.40) PARP1BRD4PDE3BPDE3ADRD2

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
EP-3080115-B1 FUSED IMIDAZOLE AND PYRAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB BIOPHARMA SPRL (BE) 2019-05-08 EP disclosed
US-9868749-B2 Fused imidazole and pyrazole derivatives as modulators of TNF activity UCB BIOPHARMA SPRL (BE) 2018-01-16 US disclosed
US-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity EVOTEC (UK) LTD. (GB) 2016-10-13 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 (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-20160297837-A1 Fused Imidazole and Pyrazole Derivatives As Modulators of TNF Activity TNF, TNFRSF1A, TNFRSF9 PARP1 1485/4885BRD4 811/4885PDE3B 338/4885

“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.