SCHEMBL5657586

SCHEMBL5657586

O=S1(=O)CCN(c2[c]cccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
FAAH O00519 8/20 0.38
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 1/20 0.35
ACHE P22303 1/20 0.34
CNR2 P34972 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HIF1A Q16665 1/20 0.32
MEN1 O00255 1/20 0.32
RORC P51449 1/20 0.30

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
SCHEMBL8961761 0.82 MAPT (0.31) LMNA
SCHEMBL233233 0.78 HPGD (0.39) KDM4ECYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL1852924 0.77 ADRA2C (0.44) KDM4EKMT2ACYP1A2ALDH1A1
SCHEMBL159767 0.76 HPGD (0.42) KDM4EKMT2AALDH1A1LMNAMEN1
SCHEMBL8137738 0.74 ALDH1A1 (0.36) KDM4EKMT2AALDH1A1
SCHEMBL28440354 0.74 FAAH (0.40) KDM4EFAAHALDH1A1LMNA
SCHEMBL5106395 0.74 KDM4E (0.36) KDM4EFAAHKMT2ACYP1A2CYP2C19
SCHEMBL188699 0.73 ADRB1 (0.50) KDM4ECYP1A2CYP2C19ALDH1A1LMNA
SCHEMBL189494 0.73 LMNA (0.50) KDM4EKMT2ACYP1A2ALDH1A1LMNA
SCHEMBL3213064 0.73 AR (0.37) CYP1A2CYP2C19ALDH1A1ACHECYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279498-B2 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC (US) 2007-10-09 US disclosed
US-6998414-B2 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC (US) 2006-02-14 US disclosed
EP-1622611-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-02-08 EP disclosed
US-20060004075-A1 Substituted aryl amides as IP antagonists ROCHE PALO ALTO LLC 2006-01-05 US disclosed
WO-2004096213-A1 IMIDAZOLIN-2-YLAMINOPHENYL AMIDES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-11-11 WO disclosed
US-20040220247-A1 Substituted arylamides as IP antagonists ROCHE PALO ALTO LLC 2004-11-04 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 (2 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-20060004075-A1 Substituted aryl amides as IP antagonists INSR, INSRR, GIPR KDM4E 3464/4885FAAH 870/4885KMT2A 4094/4885
US-20040220247-A1 Substituted arylamides as IP antagonists INSR, PTGER1, INSRR KDM4E 3971/4885FAAH 596/4885KMT2A 3904/4885

“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.