SCHEMBL6079337

SCHEMBL6079337

COC(=O)c1cc(O)c2cccc(N3CCNCC3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTR6 P50406 5/20 0.43
HTR5A P47898 2/20 0.43
HTR2A P28223 3/20 0.43
NCF1 P14598 2/20 0.43
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
HTR1D P28221 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
SCHEMBL6080136 0.86 KDM4E (0.48) KDM4EMEN1KMT2AHTR6HTR5A
SCHEMBL6596699 0.86 HTR5A (0.47) KDM4EHTR6HTR5AHTR2ANCF1
Hydrochloric Acid SCHEMBL6079161 0.85 KDM4E (0.48) KDM4EMEN1KMT2AHTR6HTR5A
SCHEMBL6080877 0.78 KDM4E (0.40) KDM4EMEN1KMT2AHTR3EHTR3B
SCHEMBL6080185 0.76 KDM4E (0.40) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1401134 0.75 MAPT (0.45) KDM4EMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL6079496 0.74 KDM4E (0.43) KDM4EMEN1KMT2ANCF1ALDH1A1
SCHEMBL561666 0.74 PDE10A (0.47) KDM4ECYP1A2HSD17B10ALDH1A1LMNA
SCHEMBL6080401 0.74 NQO2 (0.47) KDM4ECYP1A2HSD17B10ALDH1A1LMNA
SCHEMBL1815489 0.74 MAPT (0.45) KDM4ECYP1A2HSD17B10ALDH1A1LMNA

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-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 US claimed
US-20060183909-A1 Compositions derived from quinoline and quinoxaline, preparation and use thereof NEURO3D (FR) 2006-08-17 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 (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 1006/4885MEN1 740/4885KMT2A 1384/4885

“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.