SCHEMBL3498533

SCHEMBL3498533

CCOC(=O)c1cn2nc(SCc3ccccc3)ccc2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.61
RAB9A P51151 7/20 0.61
NPC1 O15118 6/20 0.61
RXFP1 Q9HBX9 1/20 0.54
KMT2A Q03164 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
GAA P10253 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
LMNA P02545 1/20 0.45
MEN1 O00255 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 2/20 0.43

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
SCHEMBL3497078 0.85 TP53 (0.46) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL9375937 0.77 TP53 (0.49) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL21033473 0.77 KDM4E (0.67) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL2517089 0.74 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL974916 0.74 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL31035800 0.74 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL974963 0.74 KDM4E (0.64) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL3498278 0.74 KDM4E (0.62) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL14417633 0.72 KDM4E (0.61) KDM4ERAB9ANPC1RXFP1KMT2A
SCHEMBL12891189 0.72 KDM4E (0.61) KDM4ERAB9ANPC1RXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100130737-A1 Regulating Agent of GPR34 Receptor Function TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-27 US disclosed
EP-1849465-A1 AGENT FOR CONTROLLING FUNCTION OF GPR34 RECEPTOR Takeda Pharmaceutical Company Limited (JP) 2007-10-31 EP 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-20100130737-A1 Regulating Agent of GPR34 Receptor Function GPR34, GPR4, GPR6 KDM4E 2059/4885RAB9A 2269/4885NPC1 1622/4885

“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.