SCHEMBL21139641

SCHEMBL21139641

CC(C)c1ncc(Cl)cc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 3/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
TGFBR1 P36897 1/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
TYK2 P29597 1/20 0.37
PARP1 P09874 2/20 0.36
JAK2 O60674 1/20 0.36
HPGD P15428 1/20 0.36
ADRA1D P25100 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL24405726 0.88 NNMT (0.41) NNMTALDH1A1KDM4EGLAGAA
SCHEMBL18193083 0.84 SMN1; SMN2 (0.38) KDM4ERAB9ASMN1; SMN2LMNAMAPT
SCHEMBL29580708 0.83 NNMT (0.38) NNMTALDH1A1KDM4EGLAGAA
SCHEMBL19105640 0.81 PARP1 (0.51) NNMTRAB9ASMN1; SMN2MAPTHTT
SCHEMBL25763776 0.78 IKBKB (0.50) RAB9ASMN1; SMN2MAPTPARP1JAK2
SCHEMBL2822776 0.77 NNMT (0.45) NNMTALDH1A1KDM4EGLAGAA
SCHEMBL21338954 0.76 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2MAPTHPGD
SCHEMBL30370236 0.76 CASP1 (0.46) NNMTALDH1A1KDM4EGLAGAA
SCHEMBL4016084 0.76 CASP1 (0.46) NNMTALDH1A1KDM4EGLAGAA
SCHEMBL16248201 0.76 GABRA1 (0.39) ALDH1A1KDM4ESMN1; SMN2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors CHEMOCENTRYX, INC. (US) 2020-11-10 US disclosed
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor AMGEN INC. (US) 2020-08-11 US disclosed
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS CHEMOCENTRYX, INC. 2019-10-03 US disclosed
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-12 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 (7 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 NNMT 2530/4885ALDH1A1 3050/4885KDM4E 3777/4885
US-20190300526-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 NNMT 3769/4885ALDH1A1 2620/4885KDM4E 4060/4885
US-10828285-B2 Diaryl substituted 6,5-fused ring compounds as C5aR inhibitors C5AR1, C5AR2, C3AR1 NNMT 2530/4885ALDH1A1 3050/4885KDM4E 3777/4885
US-20190275008-A1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR TBXA2R, AGTR1, APLNR NNMT 3875/4885ALDH1A1 1700/4885KDM4E 4612/4885
US-20210052612-A1 PRODRUGS OF FUSED-BICYCLIC C5aR ANTAGONISTS C5AR2, C5AR1, C3AR1 NNMT 3769/4885ALDH1A1 2620/4885KDM4E 4060/4885
US-10736883-B2 Triazole furan compounds as agonists of the APJ receptor TBXA2R, AGTR1, APLNR NNMT 3875/4885ALDH1A1 1700/4885KDM4E 4612/4885
US-20210106568-A1 DIARYL SUBSTITUTED 6,5-FUSED RING COMPOUNDS AS C5aR INHIBITORS C5AR1, C5AR2, C3AR1 NNMT 2530/4885ALDH1A1 3050/4885KDM4E 3777/4885

“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.