SCHEMBL5489084

SCHEMBL5489084

Cc1nc(Cl)c(CC=O)c(N(C(=O)OC(C)(C)C)c2ccc(Cl)cc2Cl)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
HTT P42858 3/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
TP53 P04637 2/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
FSCN1 Q16658 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
MT-CO2 P00403 1/20 0.32
DPP4 P27487 2/20 0.32
CYP1A2 P05177 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
SCHEMBL3271971 0.91 RXRA (0.33) IDO1CNR1CNR2HTTALDH1A1
SCHEMBL3281407 0.90 CNR1 (0.33) IDO1CNR1CNR2HTTALDH1A1
SCHEMBL5494943 0.89 CNR1 (0.32) IDO1CNR1CNR2HTTALDH1A1
SCHEMBL5494941 0.89 CNR1 (0.32) IDO1CNR1CNR2HTTALDH1A1
SCHEMBL4943359 0.87 CNR1 (0.34) IDO1CNR1CNR2HTTALDH1A1
SCHEMBL3273514 0.86 CNR1 (0.34) IDO1CNR1CNR2HTTALDH1A1
SCHEMBL3271020 0.86 FSCN1 (0.36) HTTTP53MAPTFSCN1SMN1; SMN2
SCHEMBL5492061 0.82 ALDH1A1 (0.34) IDO1CNR1CNR2HTTALDH1A1
SCHEMBL5489054 0.81 LMNA (0.33) ALDH1A1MAPTNPSR1KDM4E
SCHEMBL5113094 0.77 CNR1 (0.31) CNR1CNR2

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-7279474-B2 Substituted pyrrolo[2,3-d]pyrimidines as antagonists of the corticotropin releasing factor (CRF) GLAXO GROUP LIMITED (GB) 2007-10-09 US disclosed
US-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2007-01-25 US disclosed
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) GLAXO GROUP LIMITED (GB) 2004-09-09 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-20070021429-A1 Condensed n-heterocyclic compounds and their use as crf receptor antagonists CRHR1, NR3C2, CRHR2 IDO1 2112/4885CNR1 9/4885CNR2 14/4885
US-20040176400-A1 Fused pyrimidines as antagonists of the corticotropin releasing factor (crf) CRH, CRHR1, CRHR2 IDO1 2293/4885CNR1 54/4885CNR2 125/4885

“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.