SCHEMBL20866201

SCHEMBL20866201

COCCOc1cc(C#N)c([N+](=O)[O-])cc1OCCOC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
PDE4B Q07343 1/20 0.38
ALDH1A1 P00352 6/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
GRIA1 P42261 2/20 0.36
GRIA2 P42262 2/20 0.36
GRIA3 P42263 2/20 0.36
GRIA4 P48058 2/20 0.36
GRM6 O15303 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
CYP2C9 P11712 1/20 0.36
HPGD P15428 1/20 0.36
APEX1 P27695 1/20 0.36
BLM P54132 1/20 0.36
CHEK1 O14757 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
SCHEMBL482018 0.90 MAPT (0.43) LMNAALDH1A1MAPTTDP1GRIA1
SCHEMBL15365148 0.86 ALDH1A1 (0.45) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL15365263 0.86 ALDH1A1 (0.45) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL15366047 0.86 ALDH1A1 (0.45) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL5651215 0.86 MAPT (0.45) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL15365139 0.86 MAPT (0.45) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL15365285 0.83 MAPT (0.40) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL15365067 0.83 MAPT (0.40) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL15365609 0.81 ALDH1A1 (0.41) LMNAALDH1A1MAPTKDM4ETDP1
SCHEMBL15372369 0.81 LMNA (0.40) LMNAALDH1A1MAPTKDM4ETDP1

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-10251886-B1 4-anilinoquinazoline derivative and albumin conjugates thereof NATIONAL CHIAO TUNG UNIVERSITY (TW) 2019-04-09 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-10251886-B1 4-anilinoquinazoline derivative and albumin conjugates thereof KRAS, NRAS, ALB LMNA 3910/4885PDE4B 3785/4885ALDH1A1 1193/4885

“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.