SCHEMBL5851699

SCHEMBL5851699

Cc1ccc(NC(=O)Nc2ccccn2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.77
NPC1 O15118 11/20 0.77
SMN1; SMN2 Q16637 5/20 0.77
KDM4E B2RXH2 3/20 0.77
ALDH1A1 P00352 1/20 0.77
HTT P42858 1/20 0.77
ADORA3 P0DMS8 1/20 0.76
PIM1 P11309 1/20 0.76
ADORA2A P29274 1/20 0.76
ADORA2B P29275 1/20 0.76
ADORA1 P30542 1/20 0.76
FLT3 P36888 1/20 0.76
PIM3 Q86V86 1/20 0.76
AURKB Q96GD4 1/20 0.76
LMNA P02545 2/20 0.71
MAPT P10636 2/20 0.63
GBA1 P04062 1/20 0.63
TP53 P04637 1/20 0.63
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62

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
SCHEMBL30418675 1.00 RAB9A (0.77) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9317689 0.86 RAB9A (1.00) RAB9ANPC1SMN1; SMN2ADORA3PIM1
SCHEMBL27568748 0.86 NPC1 (0.69) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9750118 0.84 NPC1 (0.81) RAB9ANPC1SMN1; SMN2ADORA3PIM1
SCHEMBL25403693 0.83 GAA (0.71) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4119172 0.83 RAB9A (0.70) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL24008310 0.83 NPC1 (0.69) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL27285455 0.81 RAB9A (0.71) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL11173864 0.81 RAB9A (0.75) RAB9ANPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL14324763 0.81 NPC1 (0.76) RAB9ANPC1SMN1; SMN2KDM4EADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US claimed
US-20060166866-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2006-07-27 US disclosed
US-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 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 RAB9A 1779/4885NPC1 2649/4885SMN1; SMN2 3410/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885SMN1; SMN2 3410/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885SMN1; SMN2 3410/4885

“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.