SCHEMBL23914752

SCHEMBL23914752

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
ALDH1A1 P00352 7/20 0.44
LMNA P02545 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
TSHR P16473 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
CYP3A4 P08684 1/20 0.39
S1PR4 O95977 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
PDE7A Q13946 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL23914956 0.89 ALDH1A1 (0.43) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5563833 0.86 MAPT (0.46) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL5562501 0.84 MAPT (0.59) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL26930698 0.81 MAPT (0.61) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23914966 0.80 MAPT (0.44) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23914959 0.80 MAPT (0.51) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL26930475 0.80 MAPT (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23915322 0.80 GAA (0.42) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL1192348 0.79 NPC1 (0.56) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL31601732 0.79 NPC1 (0.56) MAPTALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.