SCHEMBL4597152

SCHEMBL4597152

COC(=O)c1ccc(Sc2ncc(Br)cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
ALDH1A1 P00352 5/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 7/20 0.45
KDM4E B2RXH2 6/20 0.45
L3MBTL1 Q9Y468 4/20 0.45
HPGD P15428 3/20 0.45
LMNA P02545 2/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44

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
SCHEMBL18355566 0.83 MAPT (0.54) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL4597494 0.82 ALDH1A1 (0.57) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL4596726 0.81 ALDH1A1 (0.45) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL1328382 0.81 KDM4E (0.51) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL21838795 0.80 CA1 (0.52) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL25267522 0.79 MAPK1 (0.45) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL6575703 0.78 CA1 (0.61) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL25214594 0.77 MAPT (0.48) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL30474724 0.77 MAPT (0.48) MAPK1ALDH1A1KMT2AMAPTKDM4E
SCHEMBL25216660 0.75 ALDH1A1 (0.50) MAPK1ALDH1A1KMT2AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 MAPK1 1081/4885ALDH1A1 3484/4885KMT2A 4627/4885

“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.