SCHEMBL6080136

SCHEMBL6080136

COC(=O)c1cc(N2CCNCC2)c2cccc(O)c2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NCF1 P14598 5/20 0.43
ADRB2 P07550 2/20 0.43
ADRB1 P08588 1/20 0.43
HTR6 P50406 4/20 0.41
HTR5A P47898 2/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
CYP1A2 P05177 1/20 0.40
HTR1A P08908 1/20 0.40
CYP2D6 P10635 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
MTOR P42345 1/20 0.40

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
SCHEMBL6079496 0.88 KDM4E (0.43) KDM4EMEN1KMT2ANCF1ALDH1A1
SCHEMBL6079777 0.87 KDM4E (0.47) KDM4EMEN1KMT2ANCF1HTR6
SCHEMBL6079337 0.86 KDM4E (0.48) KDM4EMEN1KMT2ANCF1ADRB2
SCHEMBL6605079 0.86 KDM4E (0.47) KDM4EKMT2ANCF1ADRB2ADRB1
Hydrochloric Acid SCHEMBL6080507 0.85 KDM4E (0.46) KDM4EMEN1KMT2ANCF1ADRB2
SCHEMBL6080010 0.76 KDM4E (0.51) KDM4EMEN1KMT2ANCF1HSD17B10
SCHEMBL6080877 0.76 KDM4E (0.40) KDM4EMEN1KMT2AHTR3EHTR3B
SCHEMBL6080405 0.74 NQO2 (0.47) KDM4ECYP1A2CYP2D6TSHRHSD17B10
SCHEMBL2852006 0.74 ADRB2 (0.65) KDM4ENCF1ADRB2ADRB1HTR6
SCHEMBL6591671 0.74 KDM4A (0.48) KDM4EMEN1KMT2ANCF1HTR6

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.