SCHEMBL2153758

SCHEMBL2153758

CCc1ccc(C(Nc2cc(C)ccn2)c2ccc3cccnc3c2O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HB P07237 10/20 1.00
MDM2 Q00987 3/20 0.72
MAPT P10636 5/20 0.72
KDM4E B2RXH2 1/20 0.72
ALDH1A1 P00352 1/20 0.72
GAA P10253 1/20 0.72
TDP1 Q9NUW8 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
TP53 P04637 4/20 0.71
SMN1; SMN2 Q16637 4/20 0.71
SLC2A1 P11166 1/20 0.66

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
SCHEMBL13836585 0.89 P4HB (0.83) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL15781888 0.88 MDM2 (0.81) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL15783146 0.88 P4HB (1.00) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL15783172 0.88 P4HB (0.81) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL15783114 0.88 P4HB (1.00) P4HBMDM2MAPTKDM4ETDP1
SCHEMBL2153186 0.87 MDM2 (0.80) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL2153101 0.87 P4HB (0.77) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL13836021 0.86 P4HB (0.78) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL13836595 0.85 MAPT (0.85) P4HBMDM2MAPTKDM4EALDH1A1
SCHEMBL13836063 0.85 MAPT (0.91) P4HBMDM2MAPTKDM4EALDH1A1

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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS Zacharon Pharmaceutical, Inc. (US) 2012-11-22 US disclosed
WO-2011082175-A2 GLYCOSAMINOGLYCAN INHIBITORS ZACHARON PHARMACEUTICALS, INC. (US) 2011-07-07 WO 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-20120295890-A1 GLYCOSAMINOGLYCAN INHIBITORS CSGALNACT1, FUT5, ST3GAL3 P4HB 590/4885MDM2 3001/4885MAPT 4328/4885

“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.