SCHEMBL21139632

SCHEMBL21139632

CC(C)(C)c1c(C(F)(F)F)ccc(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.39
P2RX7 Q99572 1/20 0.34
IDO1 P14902 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
PDE2A O00408 1/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KDR P35968 1/20 0.33
CLCN2 P51788 1/20 0.33
NPFFR2 Q9Y5X5 1/20 0.33
AR P10275 2/20 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
SCHEMBL13990322 0.82 RAPGEF4 (0.36) NOTUMP2RX7IDO1RAPGEF4PDE2A
SCHEMBL9889139 0.77 NOTUM (0.38) NOTUM
SCHEMBL805462 0.75 P2RX7 (0.42) NOTUMP2RX7PDE2A
SCHEMBL30524329 0.75 NOTUM (0.41) NOTUMP2RX7IDO1RAPGEF4HTR3E
SCHEMBL2991016 0.75 NOTUM (0.41) NOTUMP2RX7IDO1RAPGEF4HTR3E
SCHEMBL23138933 0.74 NOTUM (0.33) NOTUM
SCHEMBL10493634 0.74 AR (0.40) NOTUMP2RX7IDO1RAPGEF4HTR3E
SCHEMBL24946313 0.73 CSNK2A2 (0.38) NOTUMP2RX7CLCN2AR
SCHEMBL15850524 0.73 NOTUM (0.61) NOTUMP2RX7HTR3ACLCN2
SCHEMBL1263960 0.73 NOTUM (0.50) NOTUMIDO1HTR3EHTR3BHTR3A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2021-06-01 US disclosed
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2021-04-15 US disclosed
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2021-02-25 US disclosed
US-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) 2020-03-05 US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
US-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS CHEMOCENTRYX, INC. 2019-06-27 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 (6 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-20190192491-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 NOTUM 2397/4885P2RX7 124/4885IDO1 1142/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 NOTUM 2255/4885P2RX7 96/4885IDO1 573/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 NOTUM 2255/4885P2RX7 96/4885IDO1 573/4885
US-20200071291-A1 A CLASS OF ISOINDOLONE-IMIDE RING-1,3-DIONE-2-ENE COMPOUNDS, COMPOSITION AND USE THEREOF ATG7, MLST8, BECN1 NOTUM 4665/4885P2RX7 1541/4885IDO1 139/4885
US-11021457-B2 Class of isoindolone-imide ring-1,3-dione-2-ene compounds, composition and use thereof ATG7, MLST8, BECN1 NOTUM 4653/4885P2RX7 1701/4885IDO1 115/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 NOTUM 2397/4885P2RX7 124/4885IDO1 1142/4885

“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.