SCHEMBL6498598

SCHEMBL6498598

COc1ccc(CNC(=O)c2nn(-c3ccc(OC)c(OC)c3)cc2NC(N)=O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 4/20 0.52
HDAC1 Q13547 2/20 0.49
LMNA P02545 1/20 0.47
ABCB1 P08183 1/20 0.46
PDE10A Q9Y233 1/20 0.46
POLB P06746 3/20 0.46
NPC1 O15118 1/20 0.46
GFER P55789 1/20 0.46
PPARG P37231 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
NR2E3 Q9Y5X4 1/20 0.45
NCOR2 Q9Y618 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ALOX15 P16050 1/20 0.45

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
SCHEMBL6504732 0.87 HDAC1 (0.48) KMT2AMEN1HDAC1ABCB1POLB
SCHEMBL6506101 0.87 KMT2A (0.52) KMT2AMEN1HDAC1ABCB1POLB
SCHEMBL6501019 0.86 RXFP1 (0.54) KMT2AMEN1HDAC1LMNAABCB1
SCHEMBL6510133 0.86 ABCB1 (0.44) KMT2AMEN1HDAC1LMNAABCB1
SCHEMBL6500262 0.86 KMT2A (0.48) KMT2AMEN1HDAC1LMNAABCB1
SCHEMBL6504903 0.85 KMT2A (0.49) KMT2AMEN1HDAC1ABCB1ALDH1A1
SCHEMBL6504429 0.85 KMT2A (0.49) KMT2AMEN1HDAC1ABCB1POLB
SCHEMBL6497717 0.82 KDM4C (0.49) KMT2AMEN1LMNAPOLBRXFP1
SCHEMBL6500313 0.81 ITK (0.47) KMT2AMEN1LMNAABCB1POLB
SCHEMBL6504692 0.81 HDAC1 (0.47) KMT2AMEN1HDAC1LMNAABCB1

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 KMT2A 3219/4885MEN1 4599/4885HDAC1 462/4885

“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.