SCHEMBL4596579

SCHEMBL4596579

N[CH]c1ccccc1C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 5/20 0.52
HPGD P15428 4/20 0.52
MAPT P10636 3/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 2/20 0.52
METAP2 P50579 1/20 0.48
BCAT2 O15382 1/20 0.47
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
AKR1C1 Q04828 1/20 0.44
GAA P10253 1/20 0.42
CTNNB1 P35222 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
NPC1 O15118 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1415250 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL8579469 0.84 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL1003855 0.82 TRIM24 (0.54) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL1515606 0.82 ALDH1A1 (0.52) ALDH1A1KDM4EHPGDMAPTTSHR
Hydrochloric Acid SCHEMBL27524693 0.80 TRIM24 (0.52) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL7416476 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL27263777 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL1004375 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL1829025 0.80 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDMAPTTSHR
SCHEMBL30053495 0.78 ALDH1A1 (0.48) ALDH1A1KDM4EHPGDMAPTTSHR

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 ALDH1A1 3484/4885KDM4E 3689/4885HPGD 1736/4885

“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.