SCHEMBL23908895

SCHEMBL23908895

CCOC(=O)Cc1n[nH]c(=O)c2ccc(Br)cc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.70
ALDH1A1 P00352 3/20 0.70
JAK2 O60674 1/20 0.47
PAK4 O96013 1/20 0.47
NTRK1 P04629 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
MET P08581 1/20 0.47
PDGFRB P09619 1/20 0.47
PIM1 P11309 1/20 0.47
FGFR1 P11362 1/20 0.47
PRKACA P17612 1/20 0.47
GRK5 P34947 1/20 0.47
MAP2K2 P36507 1/20 0.47
FLT3 P36888 1/20 0.47
MAPK8 P45983 1/20 0.47
CDK8 P49336 1/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL11753413 0.85 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1JAK2PAK4NTRK1
SCHEMBL23914748 0.84 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1POLBHPGDPARP1
SCHEMBL5010738 0.83 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1POLBHPGDPARP1
SCHEMBL9674963 0.81 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1POLBHPGDPARP1
SCHEMBL22552490 0.80 PRMT5 (0.52) POLBPARP1LMNAPRMT5WDR77
SCHEMBL31375983 0.79 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1GSK3BPOLBPARP1
SCHEMBL23914629 0.79 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1HPGDPARP1LMNA
SCHEMBL23098989 0.77 PRMT5 (0.52) SMN1; SMN2PARP1LMNAPRMT5WDR77
SCHEMBL11164927 0.77 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1HPGDPARP1RAB9A
SCHEMBL23915388 0.77 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1POLBHPGDPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
US-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GILEAD SCIENCES, INC. 2021-10-14 US disclosed
CN-110869359-A Novel compounds and pharmaceutical compositions thereof for the treatment of fibrosis 加拉帕戈斯股份有限公司 2020-03-06 CN 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-20210315893-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS S1PR1, S1PR3, S1PR2 SMN1; SMN2 2920/4885ALDH1A1 944/4885JAK2 465/4885

“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.