SCHEMBL3499951

SCHEMBL3499951

O=[N+]([O-])c1cc(C=Cc2ccccc2)ccc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 5/20 0.56
VCAM1 P19320 1/20 0.53
LMNA P02545 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 3/20 0.51
HIF1A Q16665 1/20 0.51
CYP19A1 P11511 2/20 0.50
ABL1 P00519 1/20 0.46
BCR P11274 1/20 0.46
FBP1 P09467 2/20 0.46
VCP P55072 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3499948 1.00 NFE2L2 (0.56) NFE2L2VCAM1LMNASMN1; SMN2MEN1
SCHEMBL22040900 0.81 VCAM1 (0.54) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1903144 0.81 PLA2G4A (0.59) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL31697463 0.81 PLA2G4A (0.59) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL15709537 0.81 PLA2G4A (0.59) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL1903142 0.81 PLA2G4A (0.59) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL14880649 0.80 ALDH1A1 (0.60) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL23891778 0.80 VCAM1 (0.53) VCAM1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL4309326 0.80 VCAM1 (0.65) NFE2L2VCAM1LMNAMEN1KMT2A
SCHEMBL811420 0.80 NFE2L2 (0.56) NFE2L2LMNASMN1; SMN2MEN1KMT2A

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 NFE2L2 2132/4885VCAM1 2790/4885LMNA 4645/4885

“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.