SCHEMBL6037503

SCHEMBL6037503

[CH2]c1ccc(NC(=O)N2CCCC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.68
RAB9A P51151 8/20 0.67
NPC1 O15118 7/20 0.67
SMN1; SMN2 Q16637 5/20 0.67
KMT2A Q03164 4/20 0.67
MEN1 O00255 2/20 0.67
ALDH1A1 P00352 2/20 0.67
GAA P10253 1/20 0.59
EPHX2 P34913 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
HTT P42858 1/20 0.55
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL5852049 0.84 GAA (0.73) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL223421 0.82 MAPT (0.71) TGM2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL1633763 0.81 RAB9A (0.67) TGM2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL6037506 0.81 RAB9A (0.96) TGM2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL31637520 0.81 RAB9A (0.96) TGM2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL10596224 0.81 MAPT (0.69) TGM2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL4776281 0.81 CYP2C9 (0.71) TGM2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL491293 0.80 KMT2A (1.00) TGM2RAB9ANPC1SMN1; SMN2KMT2A
SCHEMBL13234925 0.80 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KMT2AMEN1
SCHEMBL29198126 0.80 RAB9A (0.70) TGM2RAB9ANPC1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040132809-A1 Cell adhesion inhibitors BIOGEN, INC. 2004-07-08 US claimed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US claimed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP claimed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US claimed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP claimed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 WO claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-20030018016-A1 Cell adhesion inhibitors BIOGEN IDEC MA, INC. 2003-01-23 US disclosed
EP-0805796-B1 CELL ADHESION INHIBITORS BIOGEN INC (US) 2002-12-11 EP disclosed
US-6376538-B1 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASES BIOGEN, INC. 2002-04-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP disclosed
EP-0805796-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1997-11-12 EP disclosed
WO-1996022966-A1 CELL ADHESION INHIBITORS BIOGEN, INC. (US) 1996-08-01 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 (3 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM TGM2 2184/4885RAB9A 1779/4885NPC1 2649/4885
US-20040132809-A1 Cell adhesion inhibitors VCAM1, ICAM1, EPCAM TGM2 3208/4885RAB9A 1137/4885NPC1 2287/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM TGM2 2184/4885RAB9A 1779/4885NPC1 2649/4885

“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.