SCHEMBL6080950

SCHEMBL6080950

O=C(O)c1cc(O)c2ccc(-c3ccccc3)c(O)c2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HNF4A P41235 1/20 0.41
MMP2 P08253 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C8 P10632 1/20 0.40
CYP2C9 P11712 1/20 0.40
DHODH Q02127 1/20 0.40
PTPN1 P18031 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 1/20 0.39
ALOX5 P09917 1/20 0.39
THRB P10828 1/20 0.38
KDM4A O75164 1/20 0.38
KDM4B O94953 1/20 0.38
KDM4D Q6B0I6 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
AKR1C3 P42330 1/20 0.38

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
SCHEMBL6079825 0.87 KDM4E (0.37) KDM4EMAPTRAB9ATDP1HNF4A
SCHEMBL6080623 0.86 MMP2 (0.39) KDM4EMAPTRAB9ATDP1MMP2
SCHEMBL6079850 0.84 CYP3A4 (0.52) KDM4EHNF4AMMP2CYP3A4CYP2C8
SCHEMBL976004 0.81 KDM4E (0.53) KDM4EMAPTRAB9ATDP1KMT2A
SCHEMBL6052793 0.78 MMP2 (0.53) KDM4EMAPTRAB9ATDP1MMP2
SCHEMBL6080071 0.78 KDM4E (0.44) KDM4EHNF4AMMP2PTPN1KMT2A
SCHEMBL6595216 0.77 KDM4E (0.49) KDM4EMAPTRAB9ATDP1KMT2A
SCHEMBL6080080 0.76 MCL1 (0.46) KDM4EMAPTRAB9ATDP1HNF4A
SCHEMBL6080627 0.76 MMP2 (0.53) KDM4EMAPTRAB9ATDP1MMP2
SCHEMBL6080733 0.75 KDM4E (0.43) KDM4EMAPTRAB9ATDP1

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 KDM4E 1006/4885MAPT 1575/4885RAB9A 431/4885

“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.