SCHEMBL6080144

SCHEMBL6080144

Cc1c(C(=O)O)nc2c(O)cccc2c1N1CCNCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
PDE10A Q9Y233 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP2D6 P10635 3/20 0.39
PARP1 P09874 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NCF1 P14598 4/20 0.39
ADRB1 P08588 3/20 0.39
ADRB2 P07550 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4A O75164 1/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR6 P50406 4/20 0.36
TSHR P16473 2/20 0.36
HTR3E A5X5Y0 1/20 0.36

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
SCHEMBL6079499 0.88 ALDH1A1 (0.41) KDM4ECYP1A2CYP2D6PARP1CYP2C9
SCHEMBL6079779 0.87 KDM4A (0.42) MEN1KMT2AKDM4A
SCHEMBL6079344 0.79 HTR6 (0.47) KDM4ECYP1A2CYP2D6CYP2C9NCF1
SCHEMBL6080384 0.75 KDM4E (0.46) KDM4EPDE10ACYP1A2CYP2D6PARP1
SCHEMBL6080015 0.75 ALDH1A1 (0.40) KDM4ECYP2D6PARP1CYP2C9NCF1
SCHEMBL6605079 0.73 KDM4E (0.47) KDM4ECYP1A2CYP2D6NCF1ADRB1
SCHEMBL6080749 0.72 CYP1A2 (0.54) KDM4EPDE10ACYP1A2CYP2D6PARP1
Hydrochloric Acid SCHEMBL6080507 0.72 KDM4E (0.46) KDM4ECYP1A2CYP2D6NCF1ADRB1
SCHEMBL6080761 0.71 MAPT (0.47) KDM4ECYP1A2CYP2C9CYP2C19MEN1
Hydrochloric Acid SCHEMBL6080757 0.70 KDM4E (0.48) KDM4EPDE10ANCF1ADRB1ADRB2

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 KDM4E 1006/4885PDE10A 702/4885CYP1A2 117/4885

“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.