SCHEMBL5153133

SCHEMBL5153133

O=C(O)Cc1ccccc1NC(=O)Nc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.59
EPHX1 P07099 1/20 0.59
TSHR P16473 1/20 0.59
EPHX2 P34913 1/20 0.59
CDK9 P50750 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
BCAT2 O15382 1/20 0.58
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
HTT P42858 2/20 0.57
LMNA P02545 2/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
POLB P06746 2/20 0.55
MAPT P10636 4/20 0.54
KDM4E B2RXH2 3/20 0.54
CXCL8 P10145 3/20 0.53
GAA P10253 2/20 0.53
NR1H4 Q96RI1 2/20 0.52

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
SCHEMBL5151876 0.89 RAB9A (0.60) TP53SMN1; SMN2BCAT2MEN1KMT2A
SCHEMBL5632774 0.89 SMN1; SMN2 (0.62) SMN1; SMN2MEN1KMT2AHTTLMNA
SCHEMBL29200385 0.84 TP53 (0.61) TP53EPHX1TSHREPHX2CDK9
SCHEMBL11028218 0.84 HTT (0.77) TP53EPHX1TSHREPHX2CDK9
SCHEMBL5991743 0.83 PTGS2 (0.63) TP53MEN1KMT2ANPC1RAB9A
SCHEMBL29200433 0.83 SMN1; SMN2 (0.59) TP53EPHX1TSHREPHX2CDK9
SCHEMBL26082853 0.83 MEN1 (0.62) TP53EPHX1TSHREPHX2CDK9
SCHEMBL17976487 0.83 TP53 (0.59) TP53EPHX1TSHREPHX2CDK9
SCHEMBL13329758 0.83 ALDH1A1 (0.63) SMN1; SMN2BCAT2POLBCXCL8NR1H4
SCHEMBL6431242 0.82 MEN1 (0.68) SMN1; SMN2MEN1KMT2AHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112533967-B Oil-in-water droplet type emulsion of active energy ray-curable resin composition and thermosensitive recording material 日本化药株式会社 2023-09-15 CN disclosed
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 US disclosed
EP-1235793-A2 VLA-4 INTEGRIN ANTAGONISTS Novartis AG (CH) 2002-09-04 EP disclosed
US-6432923-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES NOVARTIS AG (CH) 2002-08-13 US disclosed
US-6407065-B1 PREVENT CELL ADHESION; ANTIINFLAMMTORY AGENTS, RESPIRATORY SYSTEM DISORDERS NOVARTIS AG (CH) 2002-06-18 US disclosed
WO-2001042192-A2 VLA-4 INTEGRIN ANTAGONISTS NOVARTIS AG (CH) 2001-06-14 WO disclosed
EP-1049665-A1 VLA-4 ANTAGONISTS Novartis AG (Novartis SA) (Novartis Inc.) (CH) 2000-11-08 EP disclosed
WO-1999037605-A1 VLA-4 ANTAGONISTS NOVARTIS AG (CH) 1999-07-29 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 TP53 1309/4885EPHX1 1872/4885TSHR 3417/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 TP53 1266/4885EPHX1 1645/4885TSHR 3309/4885

“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.