SCHEMBL1654673

SCHEMBL1654673

CC(C)Nc1ccc(F)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 6/20 0.51
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 3/20 0.36
MAPT P10636 3/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
GAA P10253 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
AKR1C2 P52895 1/20 0.34
AKR1C1 Q04828 1/20 0.34

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
SCHEMBL1496423 0.82 KMT2A (0.41) HCAR3LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL1656833 0.81 KMT2A (0.43) LMNASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL30515532 0.78 ALDH1A1 (0.41) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL6217472 0.78 ALDH1A1 (0.41) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL1656823 0.76 HCAR3 (0.42) HCAR3GAAMEN1KMT2A
SCHEMBL25329286 0.74 TDP1 (0.61) LMNASMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL4085561 0.74 LMNA (0.41) HCAR3LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL8161303 0.73 GPR35 (0.42) LMNASMN1; SMN2ALDH1A1TDP1L3MBTL1
SCHEMBL22325943 0.73 LMNA (0.40) HCAR3LMNASMN1; SMN2ALDH1A1MAPT
SCHEMBL15774437 0.72 HCAR3 (0.49) HCAR3LMNASMN1; SMN2ALDH1A1MAPT

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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-04-07 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-20110081315-A1 NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, EIF4A2 HCAR3 3963/4885LMNA 1625/4885SMN1; SMN2 3157/4885

“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.