SCHEMBL13889574

SCHEMBL13889574

CCc1c(Cl)nc(Cl)c(=O)n1Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
CMA1 P23946 1/20 0.46
PDE1A P54750 2/20 0.46
PDE1B Q01064 2/20 0.46
PDE1C Q14123 2/20 0.46
NPBWR1 P48145 3/20 0.45
P2RX4 Q99571 1/20 0.45
PROKR2 Q8NFJ6 1/20 0.45
PROKR1 Q8TCW9 1/20 0.45
GSK3A P49840 1/20 0.44
GSK3B P49841 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
DCTPP1 Q9H773 1/20 0.44
GABRA5 P31644 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL31520378 0.77 TP53 (0.45) KDM4EALDH1A1MAPTNPBWR1P2RX4
SCHEMBL4478946 0.75 MAPT (0.43) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL19458501 0.73 PDE1B (0.56) KDM4EALDH1A1MAPTALOX15CMA1
SCHEMBL13307022 0.72 CFTR (0.46) KDM4EALDH1A1MAPTNPBWR1P2RX4
SCHEMBL644390 0.71 MAPT (0.49) KDM4EMAPTCMA1NPBWR1GSK3A
SCHEMBL13307299 0.71 MAPT (0.41) KDM4EALDH1A1MAPTNPBWR1P2RX4
SCHEMBL12004096 0.69 KDM4E (0.52) KDM4EMAPTDCTPP1
SCHEMBL6078154 0.69 ALDH1A1 (0.48) KDM4EALDH1A1MAPTALOX15PDE1A
SCHEMBL5901603 0.68 FEN1 (0.48) KDM4EALDH1A1MAPTALOX15HPGD
SCHEMBL5537580 0.68 CNR1 (0.52) KDM4EALDH1A1MAPTALOX15PDE1A

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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 US disclosed
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ANDRE-GIL JOSE IGNACIO 2008-10-30 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-20090111801-A1 SUBSTITUTED PYRAZINONE DERIVATIVES FOR USE AS A MEDICINE ADRA2C, ADRB2, CHRNA5 KDM4E 3069/4885ALDH1A1 710/4885MAPT 236/4885
US-20080269251-A1 Substituted Pyrazinone Derivatives as Alpha2C-Adrenoreceptor Antagonists ADRA2C, ADRB2, ADRA2A KDM4E 3808/4885ALDH1A1 568/4885MAPT 426/4885

“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.