SCHEMBL5152783

SCHEMBL5152783

O=C(Cc1ccccc1)ONC(=O)N(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.43
PAM P19021 1/20 0.42
TSHR P16473 1/20 0.41
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
AKR1B1 P15121 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TP53 P04637 1/20 0.39
LMNA P02545 1/20 0.38
THRB P10828 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
SCHEMBL5156830 0.81 TSHR (0.47) L3MBTL1ALDH1A1MAPK1TDP1PAM
SCHEMBL27516923 0.74 TSHR (0.53) L3MBTL1ALDH1A1MAPK1PAMTSHR
SCHEMBL16936971 0.74 L3MBTL1 (0.52) L3MBTL1ALDH1A1MAPK1TDP1HTT
SCHEMBL6208886 0.73 L3MBTL1 (0.47) L3MBTL1ALDH1A1TDP1HTTTSHR
SCHEMBL6209618 0.73 L3MBTL1 (0.47) L3MBTL1ALDH1A1TDP1HTTTSHR
SCHEMBL28021753 0.73 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPK1TDP1HTT
SCHEMBL7322797 0.73 L3MBTL1 (0.55) L3MBTL1ALDH1A1MAPK1TDP1HTT
SCHEMBL6208938 0.72 CNR2 (0.41) TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL750022 0.72 TSHR (0.51) L3MBTL1ALDH1A1MAPK1TDP1PAM
SCHEMBL27468751 0.72 KMT2A (0.59) L3MBTL1ALDH1A1MAPK1TDP1HTT

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 5 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
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 (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-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 L3MBTL1 503/4885ALDH1A1 135/4885MAPK1 1178/4885

“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.