SCHEMBL6079959

SCHEMBL6079959

O=C(O)c1nc2c([N+](=O)[O-])cccc2c(OCc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.41
SENP5 Q96HI0 1/20 0.40
SENP2 Q9HC62 1/20 0.40
SENP1 Q9P0U3 1/20 0.40
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 2/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
ATM Q13315 1/20 0.39
CTSV O60911 2/20 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
Benzene SCHEMBL6595147 0.83 PIN1 (0.39) PIN1SENP5SENP2SENP1HTR1A
SCHEMBL6080784 0.82 KDM4E (0.40) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL6080030 0.82 PTGER1 (0.41) L3MBTL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL6081088 0.81 RXRA (0.41) KDM4EALDH1A1
SCHEMBL6590199 0.79 SENP5 (0.38) PIN1SENP5SENP2SENP1HTR1A
SCHEMBL6079898 0.78 THRA (0.41) MEN1KMT2AKDM4EALDH1A1
SCHEMBL6080318 0.77 LTB4R (0.40) MEN1KMT2AL3MBTL1NPC1RAB9A
SCHEMBL6080645 0.77 P2RY14 (0.43) MEN1KMT2ATDP1RAB9AKDM4E
SCHEMBL6592928 0.77 CTSV (0.47) PIN1SENP5SENP2SENP1POLB
SCHEMBL6592924 0.77 CTSV (0.47) PIN1SENP5SENP2SENP1POLB

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 PIN1 3446/4885SENP5 1559/4885SENP2 3257/4885

“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.