SCHEMBL4715718

SCHEMBL4715718

CN(C)C=Cc1cccc(Oc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 3/20 0.51
TLR2 O60603 3/20 0.51
KMT2A Q03164 5/20 0.42
GAA P10253 4/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 1/20 0.40
MAPT P10636 6/20 0.38
KDM4E B2RXH2 2/20 0.38
MMP14 P50281 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
MLNR O43193 1/20 0.38
MMP1 P03956 1/20 0.38
MPO P05164 1/20 0.38
CYP1A2 P05177 1/20 0.38
GLA P06280 1/20 0.38

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
SCHEMBL4715716 1.00 TLR4 (0.51) TLR4TLR2KMT2AGAALMNA
SCHEMBL7408707 0.85 PRMT1 (0.49) TLR2KMT2AGAALMNAMAPT
SCHEMBL7408714 0.85 PRMT1 (0.49) TLR2KMT2AGAALMNAMAPT
SCHEMBL10535540 0.81 CCNB2 (0.46) TLR4TLR2KMT2AGAALMNA
SCHEMBL10535536 0.81 CCNB2 (0.46) TLR4TLR2KMT2AGAALMNA
SCHEMBL4719380 0.79 TLR4 (0.45) TLR4TLR2KMT2ALMNAMAPT
SCHEMBL4719378 0.79 TLR4 (0.45) TLR4TLR2KMT2ALMNAMAPT
SCHEMBL7298528 0.76 TSHR (0.50) GAAHTTMAPTKDM4EMMP14
SCHEMBL11836212 0.76 ALDH1A1 (0.56) KMT2AGAALMNAHTTMAPT
SCHEMBL11836225 0.76 ALDH1A1 (0.56) KMT2AGAALMNAHTTMAPT

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
EP-1931631-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
WO-2007041023-A1 1- (1H- INDOL- 1-YL) -3- (METHYLAMINO) -1- PHENYLPROPAN-2-OL DERIVATIVES AND RELATED COMPOUNDS AS MODULATORS OF THE MONOAMINE REUPTAKE FOR THE TREATMENT OF VASOMOTOR SYMPTOMS (VMS) WYETH (US) 2007-04-12 WO disclosed
US-20070072897-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2007-03-29 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 (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-20070072897-A1 Phenylaminopropanol derivatives and methods of their use COMT, PNMT, GLS TLR4 1472/4885TLR2 2086/4885KMT2A 1928/4885

“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.