SCHEMBL23909063

SCHEMBL23909063

N#Cc1cc([N+](=O)[O-])c(N)cc1OCC(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.38
TRPV4 Q9HBA0 1/20 0.36
MAPT P10636 8/20 0.36
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HTT P42858 1/20 0.35
GRIA1 P42261 2/20 0.34
GRIA2 P42262 2/20 0.34
GRIA3 P42263 2/20 0.34
GRIA4 P48058 2/20 0.34
ALOX15 P16050 2/20 0.34
GRM6 O15303 1/20 0.34
CYP1A2 P05177 1/20 0.34
XDH P47989 1/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
AKR1B1 P15121 1/20 0.33

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
SCHEMBL23915453 0.82 MAPT (0.51) VCAM1MAPTALDH1A1LMNAGLA
SCHEMBL23915452 0.82 MAPT (0.43) VCAM1MAPTALDH1A1LMNARXFP1
SCHEMBL23909016 0.81 MBOAT4 (0.36) ALDH1A1XDHCYP3A4
SCHEMBL23914961 0.81 MAPT (0.42) MAPTALDH1A1LMNAALOX15CYP1A2
SCHEMBL23913686 0.80 MAPT (0.43) MAPTALDH1A1LMNAALOX15TDP1
SCHEMBL23914639 0.80 ALDH1A1 (0.37) VCAM1MAPTALDH1A1LMNARXFP1
SCHEMBL23914981 0.79 MAPT (0.48) VCAM1MAPTALDH1A1LMNAKMT2A
SCHEMBL23909023 0.79 MEN1 (0.42) VCAM1MAPTALDH1A1HTTCYP1A2
SCHEMBL1511848 0.77 ALDH1A1 (0.46) VCAM1MAPTALDH1A1LMNAHTT
SCHEMBL670299 0.76 LMNA (0.41) MAPTALDH1A1LMNAALOX15CYP1A2

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 VCAM1 602/4885TRPV4 1188/4885MAPT 4876/4885

“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.