SCHEMBL4444645

SCHEMBL4444645

COC(=O)c1ccccc1N(C)c1ccccc1C(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.67
TSHR P16473 3/20 0.57
LMNA P02545 2/20 0.57
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
CFTR P13569 1/20 0.55
KDM4E B2RXH2 3/20 0.53
POLB P06746 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MAPT P10636 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA5A P35218 1/20 0.49
CA9 Q16790 1/20 0.49
ALOX15 P16050 1/20 0.49
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL4956421 0.89 KMT2A (0.59) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL43644 0.88 KMT2A (0.67) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL29408467 0.88 KMT2A (0.67) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL29271836 0.86 KMT2A (0.65) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL30492227 0.86 KMT2A (0.64) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL13066502 0.86 KMT2A (0.64) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL10835203 0.85 KMT2A (0.55) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL30740693 0.85 KMT2A (0.55) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL22453381 0.84 KMT2A (0.54) KMT2ATSHRLMNAALDH1A1HSD17B10
SCHEMBL28409026 0.83 KMT2A (0.61) KMT2ATSHRLMNAALDH1A1HSD17B10

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-2061754-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2009-05-27 EP disclosed
WO-2008115999-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 WO disclosed
US-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS XENON PHARMACEUTICALS INC. (CA) 2008-09-25 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-20080234384-A1 BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS FECH, SLC10A1, SLC40A1 KMT2A 1723/4885TSHR 611/4885LMNA 1202/4885

“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.