SCHEMBL2153116

SCHEMBL2153116

CCCCC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 8/20 0.76
POLB P06746 1/20 0.76
KDM4E B2RXH2 7/20 0.74
NPC1 O15118 5/20 0.74
TDP1 Q9NUW8 5/20 0.74
LMNA P02545 4/20 0.74
KMT2A Q03164 4/20 0.74
MEN1 O00255 2/20 0.74
ALDH1A1 P00352 2/20 0.74
RAB9A P51151 5/20 0.73
KDM1A O60341 1/20 0.72
ADAMTS5 Q9UNA0 8/20 0.71
ALOX12 P18054 5/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
PAX8 Q06710 1/20 0.69
HTT P42858 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
USP2 O75604 1/20 0.68
TP53 P04637 1/20 0.68
ALOX15 P16050 1/20 0.68

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
SCHEMBL30876629 0.95 KDM1A (0.79) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL24634662 0.95 KDM1A (0.79) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL27768660 0.93 HSP90AA1 (0.75) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL23792594 0.93 HSP90AA1 (0.75) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL30876632 0.92 HSP90AA1 (0.73) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL24634612 0.92 HSP90AA1 (0.73) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL27790135 0.90 HSP90AA1 (0.76) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL2153202 0.90 ADAMTS5 (0.79) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL31672845 0.90 ADAMTS5 (0.79) HSP90AA1POLBKDM4ENPC1TDP1
SCHEMBL27768644 0.90 HSP90AA1 (0.70) HSP90AA1POLBKDM4ENPC1TDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101611009-A Quinoline derivatives CHRONOGEN INC (US) 2009-12-23 CN claimed
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
WO-2010014948-A1 METHODS OF TREATMENT USING WNT INHIBITORS THE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2010-02-04 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 HSP90AA1 1294/4885POLB 4591/4885KDM4E 4113/4885

“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.