SCHEMBL6079987

SCHEMBL6079987

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.41
PARP1 P09874 2/20 0.38
ELANE P08246 1/20 0.38
KDM4E B2RXH2 4/20 0.37
TDP1 Q9NUW8 1/20 0.37
CDK9 P50750 2/20 0.35
DYRK1A Q13627 2/20 0.35
DYRK1B Q9Y463 2/20 0.35
DYRK2 Q92630 1/20 0.35
COPS5 Q92905 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
CDC25B P30305 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HAVCR2 Q8TDQ0 1/20 0.33
KDM4A O75164 1/20 0.33
RAB9A P51151 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33

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
SCHEMBL6079956 0.84 KDM4E (0.44) PARP1KDM4ECDK9DYRK1ADYRK1B
SCHEMBL6080471 0.83 ALDH1A1 (0.40) PARP1ELANEKDM4ETDP1ALDH1A1
SCHEMBL6080402 0.82 PARP1 (0.44) MMP2PARP1ELANEKDM4ETDP1
SCHEMBL6080873 0.78 ADORA2A (0.36) KDM4ECDK9DYRK1ADYRK1BDYRK2
Benzene SCHEMBL6080781 0.78 PARP1 (0.38) MMP2PARP1ELANEKDM4ETDP1
SCHEMBL6079395 0.78 PARP1 (0.38) MMP2PARP1ELANEKDM4ETDP1
SCHEMBL6594345 0.77 ALDH1A1 (0.46) KDM4ETDP1ALDH1A1MAPTCYP1A2
SCHEMBL6594338 0.77 ALDH1A1 (0.46) KDM4ETDP1ALDH1A1MAPTCYP1A2
SCHEMBL6080441 0.76 KDM4E (0.38) KDM4ETDP1CDK9DYRK1ADYRK1B
SCHEMBL6080126 0.75 PARP1 (0.36) MMP2PARP1ELANEKDM4ETDP1

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 MMP2 4090/4885PARP1 1366/4885ELANE 3152/4885

“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.