SCHEMBL23909079

SCHEMBL23909079

Cc1cc(OCC2CC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 14/20 0.41
S1PR4 O95977 1/20 0.40
ALDH1A1 P00352 2/20 0.39
CNR1 P21554 1/20 0.38
CYP19A1 P11511 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
SCN9A Q15858 1/20 0.38

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
SCHEMBL16134913 0.87 ALDH1A1 (0.41) ALDH1A1CYP19A1MEN1MAPTKMT2A
SCHEMBL27267925 0.83 SCN9A (0.45) SCN9A
SCHEMBL5242076 0.83 PTGER4 (0.39) CNR2ALDH1A1CNR1CYP19A1MAPT
SCHEMBL23908848 0.83 MAPT (0.45) CNR2ALDH1A1MEN1MAPTKMT2A
SCHEMBL30781060 0.83 SCN9A (0.45) SCN9A
SCHEMBL15067858 0.83 ALDH1A1 (0.39) CNR2S1PR4ALDH1A1CYP19A1MAPT
SCHEMBL20201737 0.79 CNR2 (0.40) CNR2SCN9A
SCHEMBL27625069 0.77 S1PR4 (0.48) S1PR4ALDH1A1MAPTKMT2A
SCHEMBL3168592 0.77 S1PR4 (0.51) S1PR4ALDH1A1MEN1MAPTKMT2A
SCHEMBL1340683 0.77 ALDH1A1 (0.50) S1PR4ALDH1A1MEN1MAPTKMT2A

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 4 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
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 CNR2 17/4885S1PR4 5/4885ALDH1A1 944/4885

“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.