SCHEMBL13622799

SCHEMBL13622799

CN(C)/C=C/C(=O)c1ncccc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.51
ALDH1A1 P00352 6/20 0.48
MAPT P10636 6/20 0.46
GAA P10253 4/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TDP1 Q9NUW8 1/20 0.44
RECQL P46063 2/20 0.44
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL14164117 1.00 NFE2L2 (0.51) NFE2L2ALDH1A1MAPTGAAHTT
SCHEMBL4360134 1.00 NFE2L2 (0.51) NFE2L2ALDH1A1MAPTGAAHTT
SCHEMBL4816834 0.79 MAPT (0.50) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL4816828 0.79 MAPT (0.50) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL14033785 0.78 MAPT (0.53) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL4912957 0.78 MAPT (0.53) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL28001490 0.77 NFE2L2 (0.44) NFE2L2ALDH1A1GAARAB9ASMN1; SMN2
SCHEMBL14277209 0.77 MAPT (0.46) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL31570514 0.77 GAA (0.50) ALDH1A1MAPTGAAHTTLMNA
SCHEMBL23841243 0.77 MAPT (0.48) ALDH1A1MAPTGAAHTTLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES NEUROGEN CORPORATION (US) 2009-11-19 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-7488740-B2 Substituted quinolin-4-ylamine analogues NEUROGEN CORPORATION (US) 2009-02-10 US disclosed
US-20070191374-A1 Substituted cinnolin-4-ylamines NEUROGEN COROPERATION (US) 2007-08-16 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-20070191374-A1 Substituted cinnolin-4-ylamines CNR1, GPR174, CNR2 NFE2L2 3459/4885ALDH1A1 451/4885MAPT 3718/4885
US-20090286767-A1 SUBSTITUTED QUINOLIN-4-YLAMINE ANALOGUES PIGS, HRH4, GPR52 NFE2L2 3196/4885ALDH1A1 2412/4885MAPT 3260/4885

“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.