SCHEMBL5264381

SCHEMBL5264381

CNc1ccccc1C(=O)N(C)C1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.65
TSHR P16473 1/20 0.65
ABCC1 P33527 2/20 0.59
HSD11B1 P28845 1/20 0.54
ATM Q13315 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 2/20 0.50
GAA P10253 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL15138843 0.87 SLC6A2 (0.51) HPGDTSHRABCC1ATMMAPT
SCHEMBL9001760 0.86 TSHR (0.79) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL5261420 0.82 HPGD (0.58) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL5264021 0.82 HPGD (0.58) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL5258999 0.82 MAPT (0.60) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL5259723 0.81 MEN1 (0.64) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL16098855 0.80 HPGD (0.70) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL3455670 0.80 HPGD (0.70) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL21891511 0.80 TSHR (0.70) HPGDTSHRABCC1HSD11B1ATM
SCHEMBL5259903 0.79 MAPT (0.54) HPGDTSHRABCC1HSD11B1ATM

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-20070238763-A1 Urea derivatives as integrin a4 antagonists LABORATORIOS ALMIRALL, S.A. 2007-10-11 US disclosed
EP-1383750-B1 UREA DERIVATIVES AS INTEGRIN ALPHA 4 ANTAGONISTS ALMIRALL LAB (ES) 2007-09-26 EP disclosed
US-7253171-B2 Urea derivatives as integrin α4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2007-08-07 US disclosed
US-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2004-07-22 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-20040142982-A1 Urea derivatives as integrin alpha 4 antagonists ITGA4, ITGB4, ITGA1 HPGD 3797/4885TSHR 655/4885ABCC1 426/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 HPGD 3032/4885TSHR 1951/4885ABCC1 763/4885

“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.