SCHEMBL6037559

SCHEMBL6037559

Cc1ccc(NC(=O)c2nccc3ccccc23)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
NPC1 O15118 4/20 0.61
KDM4E B2RXH2 1/20 0.59
FLT3 P36888 2/20 0.58
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
MAPT P10636 2/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
ADORA3 P0DMS8 2/20 0.56
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
SENP6 Q9GZR1 1/20 0.52
CYP3A4 P08684 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ITGB1 P05556 1/20 0.49
ITGA4 P13612 1/20 0.49
CYP1A2 P05177 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL5500063 0.88 MAPT (0.66) RAB9ANPC1KDM4EFLT3MEN1
SCHEMBL6037554 0.86 MEN1 (0.57) RAB9ANPC1KDM4EFLT3MEN1
SCHEMBL7570488 0.86 MEN1 (0.57) RAB9AFLT3MEN1KMT2AMAPT
SCHEMBL11482696 0.86 MEN1 (0.57) RAB9ANPC1KDM4EFLT3MEN1
SCHEMBL91551 0.82 RAB9A (0.51) RAB9ANPC1FLT3MEN1KMT2A
SCHEMBL6811232 0.82 FLT3 (0.58) RAB9ANPC1FLT3MEN1KMT2A
SCHEMBL91540 0.79 RAB9A (0.55) RAB9ANPC1FLT3MEN1KMT2A
SCHEMBL91549 0.79 RAB9A (0.62) RAB9ANPC1KDM4EFLT3MEN1
SCHEMBL13306750 0.79 RAB9A (0.58) RAB9ANPC1KDM4EFLT3MEN1
SCHEMBL30956107 0.79 RAB9A (0.58) RAB9ANPC1KDM4EFLT3MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-4232160-A Isoquinoline propionamides exhibiting analgesic properties MILES LABORATORIES, INC. (US) 1980-11-04 US 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-20060166866-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885KDM4E 3595/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM RAB9A 1779/4885NPC1 2649/4885KDM4E 3595/4885

“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.