SCHEMBL5156830

SCHEMBL5156830

CON(C(=O)NOC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 2/20 0.42
KDM4E B2RXH2 1/20 0.42
KCNH2 Q12809 1/20 0.42
PAM P19021 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38

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
SCHEMBL6209618 0.88 L3MBTL1 (0.47) TSHRALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL6208938 0.87 CNR2 (0.41) TSHRSMN1; SMN2SLC7A5CYP3A4CYP2C19
SCHEMBL5152783 0.81 L3MBTL1 (0.44) TSHRALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL750022 0.78 TSHR (0.51) TSHRALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL8493070 0.77 KMT2A (0.41) TSHRALDH1A1L3MBTL1KDM4EHPGD
SCHEMBL27516923 0.76 TSHR (0.53) TSHRALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6208886 0.75 L3MBTL1 (0.47) TSHRALDH1A1L3MBTL1LMNASMN1; SMN2
SCHEMBL7860796 0.74 KMT2A (0.41) TSHRALDH1A1L3MBTL1LMNAKDM4E
SCHEMBL4286531 0.73 OPRM1 (0.44) TSHRALDH1A1L3MBTL1KCNH2SMN1; SMN2
SCHEMBL28478049 0.73 TSHR (0.50) TSHRALDH1A1L3MBTL1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 US disclosed
EP-1189612-A4 VLA-4 INHIBITOR COMPOUNDS DAIICHI SEIYAKU CO (JP) 2005-02-16 EP disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 US disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 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 (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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 TSHR 3417/4885ALDH1A1 146/4885L3MBTL1 703/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 TSHR 3192/4885ALDH1A1 135/4885L3MBTL1 503/4885

“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.