SCHEMBL6080477

SCHEMBL6080477

O=C(NCCCc1cc(C(=O)O)nc2c(O)cccc12)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
F10 P00742 3/20 0.45
KDM4A O75164 1/20 0.45
KDM4B O94953 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
PLG P00747 1/20 0.41
PROC P04070 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NLRP1 Q9C000 1/20 0.41
SYK P43405 1/20 0.41

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
SCHEMBL6079868 0.91 MTNR1B (0.44) NPC1RAB9AF10KDM4AKDM4B
SCHEMBL6593195 0.82 MTNR1B (0.56) NPC1RAB9AKDM4BMEN1KMT2A
SCHEMBL6593524 0.81 NQO2 (0.48) MEN1KMT2AMAPTNPSR1NQO2
SCHEMBL6080167 0.80 KDM4E (0.48) RAB9AKDM4AMEN1KMT2AMAPT
SCHEMBL6080099 0.79 KDM4E (0.47) RAB9AKDM4AMEN1KMT2AMAPT
SCHEMBL6080368 0.78 KDM4E (0.46) RAB9AKDM4AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6080927 0.78 KDM4E (0.46) RAB9AKDM4AMEN1KMT2AMAPT
SCHEMBL6079288 0.78 KDM4E (0.51) RAB9AKDM4AKMT2AMCL1
SCHEMBL6080305 0.77 BID (0.56) KMT2AALDH1A1MAPTHPGDHSD17B10
SCHEMBL6080881 0.75 MTNR1B (0.58) NPC1RAB9AMEN1KMT2AMAPT

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 NPC1 1911/4885RAB9A 431/4885F10 2542/4885

“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.