SCHEMBL6080784

SCHEMBL6080784

Nc1cccc2c(OCc3ccccc3)c(Cc3ccccc3)c(C(=O)O)nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ADORA1 P30542 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2A P29274 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
NSD2 O96028 2/20 0.36
FDPS P14324 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NR4A2 P43354 2/20 0.36
CDK1 P06493 2/20 0.36
CCNB1 P14635 2/20 0.36
CDK2 P24941 2/20 0.36
PARP1 P09874 1/20 0.36
MGMT P16455 1/20 0.36
CCNA2 P20248 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
SCHEMBL6080030 0.86 PTGER1 (0.41) KDM4EALDH1A1MRGPRX4NPC1MAPT
SCHEMBL6081088 0.85 RXRA (0.41) KDM4EALDH1A1MRGPRX4
SCHEMBL6080313 0.85 TSHR (0.41) KDM4EALDH1A1ADORA1ADORA3ADORA2A
SCHEMBL6080945 0.83 KDM4E (0.36) KDM4EALDH1A1NR4A2CDK1CCNB1
SCHEMBL6080199 0.82 P2RY14 (0.41) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6079959 0.82 PIN1 (0.41) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6079898 0.81 THRA (0.41) KDM4EALDH1A1SMN1; SMN2NR4A2CDK1
SCHEMBL6080318 0.81 LTB4R (0.40) KDM4EALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL6080645 0.81 P2RY14 (0.43) KDM4EALDH1A1MAPTRAB9ASMN1; SMN2
SCHEMBL6080492 0.80 HRH3 (0.39) KDM4EALDH1A1NPC1MAPTRAB9A

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 1006/4885ALDH1A1 2726/4885ADORA1 1161/4885

“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.