SCHEMBL5259723

SCHEMBL5259723

CN(C(=O)c1ccccc1NCc1ccccc1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
GAA P10253 1/20 0.64
HPGD P15428 2/20 0.56
TSHR P16473 1/20 0.56
ABCC1 P33527 2/20 0.55
MAPT P10636 2/20 0.51
ALDH1A1 P00352 3/20 0.49
LMNA P02545 2/20 0.49
HSD11B1 P28845 1/20 0.48
ATM Q13315 1/20 0.48
HTT P42858 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.47
ADRA1D P25100 2/20 0.46
ADRA1A P35348 2/20 0.46
ADRA1B P35368 2/20 0.46
POLB P06746 1/20 0.46
HSD17B10 Q99714 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
SCHEMBL5261420 0.84 HPGD (0.58) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL5264021 0.84 HPGD (0.58) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL5258999 0.84 MAPT (0.60) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL5264381 0.81 HPGD (0.65) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL5259903 0.81 MAPT (0.54) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL9001760 0.79 TSHR (0.79) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL21891511 0.77 TSHR (0.70) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL3454782 0.77 MEN1 (0.60) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL21891520 0.76 HPGD (0.62) MEN1KMT2ASMN1; SMN2GAAHPGD
SCHEMBL3454806 0.75 TRPM8 (0.77) MEN1KMT2ASMN1; SMN2GAAHPGD

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
CN-100536839-C Urea derivatives as integrin alpha 4 antagonists ALMIRALL PRODESFARMA SA (ES) 2009-09-09 CN disclosed
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
CN-1531425-A Urea derivatives as integrin alpha 4 antagonists ������ҩ�����޹�˾ 2004-09-22 CN 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 MEN1 4288/4885KMT2A 3371/4885SMN1; SMN2 3692/4885
US-20070238763-A1 Urea derivatives as integrin a4 antagonists ITGB4, ITGA4, ITGB7 MEN1 4689/4885KMT2A 4075/4885SMN1; SMN2 4134/4885

“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.