SCHEMBL5314196

SCHEMBL5314196

O=C(Nc1ccc(Oc2ccccc2)cc1)NC1CCN(Cc2ccc(C(=O)O)cc2)CC1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.77
KMT2A Q03164 2/20 0.68
DRD2 P14416 1/20 0.68
DRD4 P21917 1/20 0.68
DRD3 P35462 1/20 0.68
CXCR3 P49682 1/20 0.67
EPHX2 P34913 2/20 0.61
SIGMAR1 Q99720 1/20 0.61
CHRM4 P08173 1/20 0.61
EPHX1 P07099 1/20 0.60
MCHR2 Q969V1 1/20 0.57
MCHR1 Q99705 1/20 0.57
PRKAA2 P54646 1/20 0.57
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
DCUN1D1 Q96GG9 1/20 0.56

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
SCHEMBL5312136 0.91 KMT2A (0.64) LTA4HKMT2ADRD2DRD4DRD3
Hydrochloric Acid SCHEMBL1450124 0.88 LTA4H (0.60) LTA4HKMT2ADRD2DRD4DRD3
SCHEMBL3045089 0.87 LTA4H (1.00) LTA4H
SCHEMBL5315667 0.86 LTA4H (0.74) LTA4HCHRM4
SCHEMBL5335853 0.86 LTA4H (0.71) LTA4HKMT2ACHRM4MCHR2MCHR1
SCHEMBL5333591 0.84 LTA4H (0.71) LTA4HCHRM4POLB
Hydrochloric Acid SCHEMBL1448762 0.83 KMT2A (0.65) LTA4HKMT2ADRD2DRD4DRD3
SCHEMBL3036726 0.83 LTA4H (0.76) LTA4HKMT2ACHRM4
SCHEMBL3030359 0.83 LTA4H (0.76) LTA4HKMT2ACHRM4
SCHEMBL9078087 0.82 DRD4 (1.00) KMT2ADRD2DRD4DRD3SIGMAR1

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
WO-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed
US-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase SCHERING AKTIENGESSELLSCHAFT (DE) 2007-07-05 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-20070155727-A1 Amide inhibitors of leukotriene A4 hydrolase LTA4H, LTB4R, LTC4S LTA4H 1/4885KMT2A 1929/4885DRD2 2126/4885

“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.