SCHEMBL12302147

SCHEMBL12302147

C/C(=N\C(=O)OCc1ccccc1)n1cccn1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
ELANE P08246 1/20 0.40
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
PDE4B Q07343 1/20 0.39
LMNA P02545 1/20 0.38
JMJD6 Q6NYC1 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
SCHEMBL12287978 0.84 NOS1 (0.45) ALDH1A1
SCHEMBL1728940 0.84 NOS1 (0.45) ALDH1A1
SCHEMBL14271350 0.84 ALDH1A1 (0.40) ALDH1A1ELANEPOLBPDE4B
SCHEMBL670165 0.80 POLB (0.43) POLBLMNA
SCHEMBL5567091 0.80 POLB (0.43) POLBLMNA
SCHEMBL670164 0.80 POLB (0.43) POLBLMNA
SCHEMBL15500843 0.79 L3MBTL1 (0.48) ALDH1A1POLBKMT2ATDP1MAPK1
SCHEMBL6764374 0.77 SYK (0.41) POLBKMT2AL3MBTL1
SCHEMBL6764370 0.77 SYK (0.41) POLBKMT2AL3MBTL1
SCHEMBL22798569 0.73 POLB (0.44) POLBLMNA

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
US-9120779-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2015-09-01 US disclosed
US-20110237579-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-09-29 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-20110237579-A1 INHIBITORS OF HCV NS5A MAVS, HAVCR2, EIF2AK2 ALDH1A1 4169/4885ELANE 4051/4885POLB 2863/4885

“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.