SCHEMBL6080593

SCHEMBL6080593

COc1ccc(-c2cc(O)c3nc(C(=O)O)c(C)c(O)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAB1 Q9Y478 2/20 0.48
MCL1 Q07820 2/20 0.42
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
DHODH Q02127 2/20 0.40

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
SCHEMBL6080863 0.89 PRKAG1 (0.47) PRKAG1PRKAA1PRKAB1MCL1DYRK1A
SCHEMBL6079346 0.85 DHODH (0.44) MCL1ALDH1A1HPGDKDM4EPOLB
SCHEMBL6080393 0.81 KMO (0.47) DHODH
SCHEMBL6081306 0.79 PDE10A (0.45) ALDH1A1HPGDKDM4EDHODH
SCHEMBL6081551 0.79 AKR1C2 (0.46) DHODHKDM5B
SCHEMBL6079891 0.79 MCL1 (0.53) PRKAG1PRKAA1PRKAB1MCL1ALDH1A1
SCHEMBL6080914 0.77 L3MBTL1 (0.52) DYRK1AKDM4ENPC1RAB9ADHODH
SCHEMBL6080431 0.73 DHODH (0.40) ALDH1A1HPGDKDM4EHSD17B10DHODH
SCHEMBL6080119 0.73 DHODH (0.39) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL6080590 0.72 ALDH1A1 (0.45) PRKAG1PRKAA1PRKAB1MCL1DYRK1A

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 PRKAG1 3393/4885PRKAA1 3768/4885PRKAB1 3388/4885

“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.