SCHEMBL10103078

SCHEMBL10103078

C=C(C)c1ccc(-c2nnc(N)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.66
NOTUM Q6P988 2/20 0.56
DGAT1 O75907 1/20 0.56
RAB9A P51151 10/20 0.56
NPC1 O15118 9/20 0.56
HSD17B10 Q99714 4/20 0.51
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 5/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 4/20 0.41
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
ALOX15 P16050 1/20 0.40
PKM P14618 1/20 0.38

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
SCHEMBL13780835 0.81 RAB9A (0.46) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL6903361 0.80 KDM4E (1.00) KDM4ENOTUMDGAT1RAB9ANPC1
SCHEMBL10103349 0.79 RAB9A (0.41) KDM4ERAB9ANPC1HSD17B10KMT2A
SCHEMBL13063210 0.79 NPC1 (0.62) KDM4ERAB9ANPC1HSD17B10KMT2A
SCHEMBL18708515 0.78 NPC1 (0.70) RAB9ANPC1KMT2ASMN1; SMN2HPGD
SCHEMBL5733596 0.77 NPC1 (0.69) KDM4ENOTUMDGAT1RAB9ANPC1
SCHEMBL12948082 0.77 SNCA (0.43) KDM4ERAB9ANPC1HSD17B10KMT2A
SCHEMBL12948097 0.76 HDAC6 (0.52) KDM4ERAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL12550898 0.76 KDM4E (0.66) KDM4ENOTUMDGAT1RAB9ANPC1
SCHEMBL26673871 0.75 NPC1 (0.78) KDM4ENOTUMDGAT1RAB9ANPC1

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-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION ADHEREX TECHNOLOGIES, INC. (CA) 2012-01-26 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-20120022083-A1 SMALL MOLECULE MODULATORS OF CELL ADHESION CDH1, EPCAM, ICAM1 KDM4E 2054/4885NOTUM 4243/4885DGAT1 3973/4885

“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.