SCHEMBL6506596

SCHEMBL6506596

NC(=O)Nc1cn(-c2ccc(-c3ccc(CO)cc3)cc2)nc1C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.41
ALDH1A1 P00352 7/20 0.41
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ITK Q08881 1/20 0.41
GAA P10253 2/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HDAC2 Q92769 1/20 0.38
HTT P42858 4/20 0.38
LMNA P02545 6/20 0.38
MITF O75030 1/20 0.38
XBP1 P17861 1/20 0.38
KMT2A Q03164 2/20 0.37

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
SCHEMBL6468754 0.89 ITK (0.43) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6469857 0.89 ITK (0.43) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6497388 0.87 KDM4E (0.53) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6470172 0.86 ITK (0.38) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6507198 0.86 MAP4K4 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6498693 0.86 KDM4E (0.46) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6467418 0.85 IRAK4 (0.45) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6504415 0.85 KDM4E (0.50) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6500275 0.84 ALDH1A1 (0.41) KDM4EALDH1A1MAPTSMN1; SMN2NPC1
SCHEMBL6470269 0.84 MAPT (0.44) KDM4EALDH1A1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation PHARMACIA AND UPJOHN COMPANY LLC 2005-09-08 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-20050197338-A1 Substituted pyrazole urea compounds for the treatment of inflammation IL4, ARG2, CASP4 KDM4E 2424/4885ALDH1A1 846/4885MAPT 1906/4885

“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.