SCHEMBL6652016

SCHEMBL6652016

O=C(OCc1c(F)cccc1F)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.55
BCL9 O00512 1/20 0.46
CTNNB1 P35222 1/20 0.46
ATM Q13315 1/20 0.46
PTPN7 P35236 1/20 0.45
PTPN12 Q05209 1/20 0.45
PTPN22 Q9Y2R2 1/20 0.45
GAA P10253 3/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSPB1 P04792 1/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
MAPT P10636 3/20 0.41
MGLL Q99685 1/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40

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
SCHEMBL6648115 0.84 PTPN7 (0.57) HTR2ABCL9CTNNB1PTPN7PTPN12
SCHEMBL7463242 0.84 HTR2A (0.58) HTR2ABCL9CTNNB1PTPN7PTPN12
SCHEMBL1197368 0.84 HTR2A (0.50) HTR2ABCL9CTNNB1ATMPTPN7
SCHEMBL2584487 0.81 MMP1 (0.47) ATMSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL21097197 0.81 HTR2A (0.58) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL29702445 0.81 HTR2A (0.58) HTR2ABCL9CTNNB1GAAMAPT
SCHEMBL5827968 0.80 HTR2A (0.80) HTR2ABCL9CTNNB1GAAALDH1A1
SCHEMBL6648196 0.80 HTR2A (0.70) HTR2ABCL9CTNNB1GAASMN1; SMN2
SCHEMBL1714950 0.79 HTR2A (0.70) HTR2ABCL9CTNNB1LMNASMN1; SMN2
SCHEMBL31413357 0.78 HTR2A (0.62) HTR2ABCL9CTNNB1GAASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1482940-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE Pharmacia Corporation (US) 2004-12-08 EP disclosed
US-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 US disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO disclosed
WO-2003028729-A2 PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2003-04-10 WO 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG HTR2A 4480/4885BCL9 3116/4885CTNNB1 4057/4885

“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.