SCHEMBL259197

SCHEMBL259197

CCOC(=O)c1oc2ncccc2c1NC(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
TSHR P16473 7/20 0.50
HSD17B10 Q99714 7/20 0.50
MAPT P10636 4/20 0.50
CYP1A2 P05177 3/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2C9 P11712 2/20 0.50
ALOX15 P16050 1/20 0.50
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C19 P33261 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL3728067 0.90 KDR (0.47) KDM4ETSHRHSD17B10MAPTALDH1A1
SCHEMBL14581998 0.87 HTT (0.57) KDM4ETSHRHSD17B10MAPTCYP1A2
SCHEMBL259251 0.85 KDM4E (0.58) KDM4ETSHRHSD17B10MAPTCYP1A2
SCHEMBL259344 0.85 KDR (0.50) KDM4EMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL13318503 0.84 KDM4E (0.49) KDM4ETSHRHSD17B10MAPTCYP1A2
SCHEMBL259200 0.84 KDR (0.49) KDM4ETSHRHSD17B10MAPTCYP1A2
SCHEMBL13102749 0.80 LMNA (0.51) KDM4ETSHRHSD17B10MAPTCYP1A2
SCHEMBL259261 0.80 KDM4E (0.50) KDM4ETSHRHSD17B10MAPTCYP1A2
SCHEMBL13298498 0.79 HPGD (0.72) KDM4ETSHRHSD17B10MAPTCYP1A2
SCHEMBL259027 0.79 RAB9A (0.44) KDM4ETSHRHSD17B10MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885TSHR 4005/4885HSD17B10 1278/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885TSHR 4005/4885HSD17B10 1278/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A KDM4E 2196/4885TSHR 4005/4885HSD17B10 1278/4885

“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.