SCHEMBL5117672

SCHEMBL5117672

Cn1c(C(=O)O)cc2cccc(Oc3ccnc(N4CCN5CCC=C5C4)c3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 4/20 0.33
ALOX15 P16050 1/20 0.33
MCL1 Q07820 3/20 0.32
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 3/20 0.32
TSHR P16473 3/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 2/20 0.32
PPARG P37231 1/20 0.32
DRD4 P21917 2/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
DRD3 P35462 1/20 0.30
POLB P06746 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
SCHEMBL4047150 0.86 HTR3A (0.41) GFERMEN1KMT2AHSD17B10ALOX15
SCHEMBL5117790 0.83 HRH4 (0.39) GFERMEN1KMT2AHSD17B10ALOX15
SCHEMBL5125717 0.83 HTR2C (0.38) GFERMEN1KMT2AKDM4EPPARG
SCHEMBL5117664 0.79 HRH3 (0.41) MEN1KMT2ADRD4DRD2POLB
SCHEMBL4048516 0.76 PPARG (0.46) GFERHSD17B10MCL1ALDH1A1KDM4E
SCHEMBL5124529 0.74 WNT1 (0.38) GFERPPARG
SCHEMBL5872527 0.74 WNT1 (0.38) GFERPPARG
SCHEMBL4049554 0.74 MCL1 (0.44) GFERHSD17B10MCL1ALDH1A1KDM4E
SCHEMBL5124452 0.74 PPARG (0.40) GFERHSD17B10MCL1ALDH1A1KDM4E
SCHEMBL5872500 0.74 GFER (0.40) GFERHSD17B10MCL1ALDH1A1KDM4E

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-7335657-B2 Cytokine inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2008-02-26 US claimed
US-20060235017-A1 Cytokine Inhibitors BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-10-19 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-20060235017-A1 Cytokine Inhibitors IL1B, IL1A, IL1R1 GFER 2265/4885MEN1 1869/4885KMT2A 4402/4885

“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.