SCHEMBL6080488

SCHEMBL6080488

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c2cccc(N3CCCCC3)c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
BCHE P06276 2/20 0.40
LRRK2 Q5S007 2/20 0.40
HTR6 P50406 1/20 0.39
HRH1 P35367 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
HIF1A Q16665 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
SCHEMBL6602974 0.91 HTR1A (0.44) SMN1; SMN2NPC1LMNAPOLBMAPT
SCHEMBL6080127 0.82 ALDH1A1 (0.49) MAPTHTR1AMEN1KMT2ALRRK2
SCHEMBL6080025 0.81 MRGPRX4 (0.42) SMN1; SMN2NPC1LMNAMAPTRAB9A
SCHEMBL6080347 0.81 MRGPRX4 (0.42) SMN1; SMN2NPC1MAPTRAB9ASLC6A2
SCHEMBL6080355 0.81 BACE1 (0.49) SMN1; SMN2LMNAPOLBMEN1KMT2A
SCHEMBL6602328 0.80 ATR (0.50) NPC1MAPTRAB9ALRRK2ALDH1A1
SCHEMBL6593434 0.80 ALDH1A1 (0.49) MAPTHTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL6080078 0.80 SMN1; SMN2 (0.43) SMN1; SMN2NPC1LMNAPOLBMAPT
SCHEMBL6081081 0.80 PTGER1 (0.45) SMN1; SMN2NPC1RAB9AKDM4EALDH1A1
SCHEMBL6592999 0.80 DRD2 (0.48) SMN1; SMN2LMNAPOLBHPGDHIF1A

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NQO1, NQO2, RECQL SMN1; SMN2 2666/4885NPC1 1911/4885LMNA 2027/4885

“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.