SCHEMBL6080091

SCHEMBL6080091

CC(C)(C)C(=O)Nc1cccc2c(O)cc(C(=O)O)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CETP P11597 1/20 0.40
ADORA1 P30542 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MMP2 P08253 2/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 1/20 0.38
XBP1 P17861 1/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6080449 0.85 KDM4E (0.47) KMT2AMEN1NPC1RAB9AMMP2
Hydrochloric Acid SCHEMBL6080479 0.81 ACHE (0.45) KMT2ARAB9AMMP2KDM4EMAPT
SCHEMBL6079926 0.81 NPC1 (0.55) TOP2AKMT2AMEN1NPC1CYP1A2
Xanthurenate SCHEMBL379760 0.76 KDM4E (0.59) KMT2ACYP1A2CYP2C9CYP2C19RAB9A
Xanthurenate SCHEMBL29394132 0.76 KDM4E (0.59) KMT2ACYP1A2CYP2C9CYP2C19RAB9A
Xanthurenate SCHEMBL29911018 0.76 KDM4E (0.59) KMT2ACYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL2909426 0.75 KDM4E (0.49) KMT2AMEN1RAB9AKDM4EMAPT
SCHEMBL6080279 0.74 KDM4E (0.49) KMT2AMEN1ADORA1MMP2KDM4E
SCHEMBL12284944 0.72 CETP (0.59) KMT2AMEN1CYP1A2CYP2C9RAB9A
SCHEMBL3333164 0.72 GRM2 (0.48) KMT2ARAB9AADORA1KDM4EMAPT

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 TOP2A 374/4885KMT2A 1384/4885MEN1 740/4885

“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.