SCHEMBL2941445

SCHEMBL2941445

[c]1oc2ccccc2c1-c1nsc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
EPAS1 Q99814 8/20 0.36
MMP13 P45452 1/20 0.32
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
HTR7 P34969 1/20 0.31
HTR6 P50406 1/20 0.31
EPHX2 P34913 1/20 0.31
TP53 P04637 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28563540 0.74 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL30987223 0.74 MAPT (0.60) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL9487343 0.70 KDM4E (0.37) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL5814878 0.69 CHRM2 (0.40) MAPTKDM4EALDH1A1
SCHEMBL3144177 0.69 RAB9A (0.46) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL7808907 0.68 KDM4E (0.42) MAPTKDM4EALDH1A1HSD17B10HTR1A
SCHEMBL6964514 0.67 KDM4E (0.52) MAPTKDM4EALDH1A1HSD17B10EPAS1
SCHEMBL2958656 0.67 CA1 (0.36) MAPTKDM4EALDH1A1HSD17B10EPHX2
SCHEMBL5567669 0.67 KDM4E (0.36) MAPTKDM4EALDH1A1HSD17B10TP53
SCHEMBL9867507 0.67 KDM4E (0.39) MAPTKDM4EALDH1A1HSD17B10SMN1; 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
JP-4484703-B2 2010-06-16 JP claimed
US-20070093478-A1 Novel mycobacterial inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2007-04-26 US claimed
JP-2006504658-A 2006-02-09 JP claimed
EP-1527050-A1 QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-05-04 EP claimed
WO-2004011436-A1 QUINOLINE DERIVATIVES AND THEIR USE AS MYCOBACTERIAL INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2004-02-05 WO claimed
US-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ANDRES-GIL JOSE IGNACIO 2009-11-12 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 (2 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-20090281099-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, CHRNA5, ADRB2 MAPT 252/4885KDM4E 3278/4885ALDH1A1 611/4885
US-20070093478-A1 Novel mycobacterial inhibitors NQO2, NAT1, HRH1 MAPT 854/4885KDM4E 4559/4885ALDH1A1 1106/4885

“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.