SCHEMBL23908848

SCHEMBL23908848

Nc1cc(OCC2CC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
LMNA P02545 2/20 0.44
CNR2 P34972 7/20 0.39
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.38
MCL1 Q07820 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL23914744 0.83 MAPT (0.40) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL30781060 0.83 SCN9A (0.45)
SCHEMBL27267925 0.83 SCN9A (0.45)
SCHEMBL5242076 0.83 PTGER4 (0.39) MAPTALDH1A1KMT2ACNR2NPC1
SCHEMBL23909079 0.83 CNR2 (0.41) MAPTALDH1A1KMT2AMEN1CNR2
SCHEMBL23909023 0.81 MEN1 (0.42) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL23908770 0.80 HTR2C (0.41) CNR2
SCHEMBL5565701 0.80 ALDH1A1 (0.38) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL5562501 0.80 MAPT (0.59) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL16738710 0.78 CYP19A1 (0.39) MAPTALDH1A1KMT2AMEN1LMNA

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 MAPT 4876/4885ALDH1A1 944/4885KMT2A 2974/4885

“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.