SCHEMBL6079655

SCHEMBL6079655

Nc1cccc2c(O)c(CCc3ccccc3)c(C(=O)O)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEH1 O60930 2/20 0.43
P2RX3 P56373 1/20 0.41
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
NSD2 O96028 4/20 0.39
COPS5 Q92905 1/20 0.38
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
BACE1 P56817 1/20 0.36
MMP2 P08253 1/20 0.36
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6079831 0.87 RNASEH1 (0.41) RNASEH1P2RX3ADORA2AADORA1MMP2
SCHEMBL6080126 0.85 PARP1 (0.36) RNASEH1P2RX3NSD2COPS5MMP2
SCHEMBL6079276 0.84 P2RX3 (0.40) RNASEH1P2RX3ADORA2AADORA1NSD2
Hydrochloric Acid SCHEMBL6079915 0.84 TLR8 (0.36) P2RX3ADORA2AADORA1NSD2COPS5
Benzene SCHEMBL6080781 0.83 PARP1 (0.38) P2RX3ADORA2AADORA1NSD2COPS5
SCHEMBL6079395 0.83 PARP1 (0.38) P2RX3ADORA2AADORA1NSD2COPS5
SCHEMBL6079834 0.79 P2RX3 (0.44) RNASEH1P2RX3COPS5ALDH1A1
SCHEMBL6079660 0.78 DHODH (0.37) MMP2TDP1
SCHEMBL6080402 0.75 PARP1 (0.44) P2RX3COPS5MMP2NPC1ALDH1A1
SCHEMBL6079987 0.75 MMP2 (0.41) COPS5MMP2ALDH1A1RAB9ASMN1; SMN2

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 6 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
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP claimed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US disclosed
EP-1451159-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2004-09-01 EP disclosed
WO-2003010146-A1 COMPOSITIONS DERIVED FROM QUINOLINE AND QUINOXALINE, PREPARATION AND USE THEREOF NEURO3D (FR) 2003-02-06 WO 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 RNASEH1 2268/4885P2RX3 465/4885ADORA2A 1442/4885

“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.