SCHEMBL1468434

SCHEMBL1468434

CCOC(=O)CCCc1ccc(N2Cc3cc([N+](=O)[O-])ccc3C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.45
MAPT P10636 8/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 6/20 0.44
TDP1 Q9NUW8 2/20 0.44
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPK1 P28482 2/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
FAAH O00519 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
CYP4F11 Q9HBI6 1/20 0.39
CYP4F12 Q9HCS2 1/20 0.39
CYP2C19 P33261 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TNF P01375 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
SCHEMBL1468613 0.92 CASP3 (0.45) CASP3MAPTKDM4EALDH1A1TDP1
SCHEMBL1468030 0.86 TNF (0.49) CASP3MAPTTDP1MAPK1KMT2A
SCHEMBL1468193 0.83 CYP4Z1 (0.41) CASP3KDM4ETDP1MAPK1KMT2A
SCHEMBL1467580 0.83 NPC1 (0.54) CASP3MAPTKDM4EKMT2ALMNA
SCHEMBL1467991 0.80 TNF (0.49) CASP3MAPTKDM4EALDH1A1TDP1
SCHEMBL1470282 0.79 FAAH (0.41) CASP3TDP1MAPK1KMT2AFAAH
SCHEMBL3797765 0.79 MAPT (0.47) MAPTKDM4EALDH1A1TDP1MAPK1
SCHEMBL7188600 0.79 MAPT (0.55) MAPTKDM4EALDH1A1TDP1KCNJ1
SCHEMBL1470284 0.78 CYP4Z1 (0.41) CASP3KDM4ETDP1MAPK1KMT2A
Hydrochloric Acid SCHEMBL6988461 0.77 MAPT (0.54) MAPTKDM4EALDH1A1TDP1KCNJ1

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-8722723-B2 Aromatic amide derivative RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2014-05-13 US disclosed
US-20110071304-A1 AROMATIC AMIDE DERIVATIVE RESEARCH FOUNDATION ITSUU LABORATORY (JP) 2011-03-24 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-20110071304-A1 AROMATIC AMIDE DERIVATIVE NCOR2, NCOR1, EP300 CASP3 3248/4885MAPT 3909/4885KDM4E 747/4885

“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.