SCHEMBL5467147

SCHEMBL5467147

CCOC(=O)Cc1cccc([N+](=O)[O-])c1C(=O)OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 7/20 0.48
PDGFRB P09619 1/20 0.48
FGFR1 P11362 1/20 0.48
PDGFRA P16234 1/20 0.48
FLT1 P17948 1/20 0.48
FGFR3 P22607 1/20 0.48
KDR P35968 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 5/20 0.44
KDM4E B2RXH2 1/20 0.44
ABCC4 O15439 1/20 0.44
PLIN1 O60240 1/20 0.44
CACNA1F O60840 1/20 0.44
GMNN O75496 1/20 0.44

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
SCHEMBL5460845 0.86 TDP1 (0.57) MAPK1SMN1; SMN2ALDH1A1MAPTTDP1
SCHEMBL24861312 0.86 SMN1; SMN2 (0.49) MAPK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL3727437 0.83 TDP1 (0.51) MAPK1SMN1; SMN2ALDH1A1TDP1KMT2A
SCHEMBL3796044 0.83 MAPK1 (0.61) MAPK1SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL31031180 0.83 MAPK1 (0.61) MAPK1SMN1; SMN2ALDH1A1MAPTL3MBTL1
SCHEMBL12053309 0.82 GPR35 (0.50) MAPK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL11871085 0.82 SMN1; SMN2 (0.49) MAPK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL283180 0.81 SMN1; SMN2 (0.47) MAPK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL11398188 0.80 TDP1 (0.56) MAPK1SMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL5473367 0.80 CHEK1 (0.46) SMN1; SMN2ALDH1A1L3MBTL1KDM4ETBXAS1

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
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 MAPK1 1022/4885SMN1; SMN2 2437/4885ALDH1A1 1875/4885

“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.