SCHEMBL5864259

SCHEMBL5864259

O=C(Nc1ccc(OCCN2CCCC2)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.55
KDR P35968 3/20 0.52
HRH3 Q9Y5N1 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
PSMB1 P20618 1/20 0.49
PSMB5 P28074 1/20 0.49
PSMB2 P49721 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
LMNA P02545 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PIK3CA P42336 1/20 0.47
MTOR P42345 1/20 0.47
LTA4H P09960 1/20 0.47
EPHX2 P34913 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL5863668 0.90 KDR (0.60) MCHR1KDRHRH3SMN1; SMN2NPC1
SCHEMBL10550010 0.81 DEGS1 (0.54) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
SCHEMBL5863370 0.81 LTA4H (0.61) HRH3PSMB1PSMB5PSMB2LTA4H
SCHEMBL5863736 0.80 EPHX2 (0.46) MCHR1HRH3PSMB1PSMB5PSMB2
SCHEMBL5863787 0.79 KDM4E (0.43) MCHR1HRH3SMN1; SMN2PSMB1PSMB5
SCHEMBL5863669 0.78 PSMB1 (0.49) HRH3ALDH1A1PSMB1PSMB5PSMB2
SCHEMBL8901713 0.76 MAOB (0.50) PSMB1PSMB5PSMB2
SCHEMBL12675059 0.76 MAOB (0.50) PSMB1PSMB5PSMB2
SCHEMBL5863673 0.75 LTA4H (0.59) HRH3SMN1; SMN2ALDH1A1LTA4HKDM4E
SCHEMBL5864125 0.75 HRH3 (0.47) HRH3PSMB1PSMB5PSMB2LTA4H

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
US-7053212-B2 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC. (US) 2006-05-30 US disclosed
EP-1542967-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR Pfizer Products Inc. (US) 2005-06-22 EP disclosed
US-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor PFIZER INC 2004-06-10 US disclosed
WO-2004026823-A1 AMIDE AND SULFONAMIDE LIGANDS FOR THE ESTROGEN RECEPTOR PFIZER PRODUCTS INC. (US) 2004-04-01 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-20040110767-A1 Acyclic amide and sulfonamide ligands for the estrogen receptor GHSR, GPER1, SSTR1 MCHR1 1402/4885KDR 1077/4885HRH3 1036/4885

“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.