SCHEMBL23914966

SCHEMBL23914966

CC(C)COc1cc(N)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.44
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
XDH P47989 1/20 0.44
TSHR P16473 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MYC P01106 1/20 0.40
MAX P61244 1/20 0.40
AR P10275 1/20 0.39
PELP1 Q8IZL8 1/20 0.39
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL23913686 0.86 MAPT (0.43) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL5562501 0.84 MAPT (0.59) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL26930698 0.81 MAPT (0.61) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL23914752 0.80 MAPT (0.44) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL26930475 0.80 MAPT (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23914959 0.80 MAPT (0.51) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL23914672 0.80 GAA (0.49) MAPTALDH1A1LMNAXDHTSHR
SCHEMBL1192348 0.79 NPC1 (0.56) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL31601732 0.79 NPC1 (0.56) MAPTALDH1A1LMNATSHRTDP1
SCHEMBL10423854 0.78 TSHR (0.47) ALDH1A1LMNAXDHTSHRTDP1

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 2 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

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 944/4885LMNA 449/4885

“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.