SCHEMBL16017668

SCHEMBL16017668

CCCC(=O)N1CCc2ccccc2C1CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.67
ALDH1A1 P00352 3/20 0.65
NPSR1 Q6W5P4 2/20 0.65
KEAP1 Q14145 13/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
NFE2L2 Q16236 6/20 0.61
ATM Q13315 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
LMNA P02545 1/20 0.53
RECQL P46063 1/20 0.53

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
SCHEMBL16017669 0.93 MAPK1 (0.65) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL14921353 0.89 MAPK1 (0.67) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL14921403 0.87 MAPK1 (0.65) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL18066433 0.84 KEAP1 (0.73) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL18085751 0.80 ALDH1A1 (0.62) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL14921422 0.80 ALDH1A1 (0.62) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL16017663 0.80 ALDH1A1 (0.62) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL14921399 0.79 ALDH1A1 (1.00) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL14921401 0.79 ALDH1A1 (1.00) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2
SCHEMBL14921954 0.79 KEAP1 (0.66) MAPK1ALDH1A1NPSR1KEAP1SMN1; SMN2

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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2018-05-31 US disclosed
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS THE BROAD INSTITUTE, INC. (US) 2014-09-11 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 (2 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-20180148408-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 MAPK1 115/4885ALDH1A1 1021/4885NPSR1 3759/4885
US-20140256767-A1 DIRECT INHIBITORS OF KEAP1-NRF2 INTERACTION AS ANTIOXIDANT INFLAMMATION MODULATORS KEAP1, NFE2L2, HMOX1 MAPK1 115/4885ALDH1A1 1021/4885NPSR1 3759/4885

“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.