SCHEMBL6037486

SCHEMBL6037486

Cc1ccc(N(C(N)=O)c2ccc(O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.52
ESR1 P03372 5/20 0.45
ESR2 Q92731 5/20 0.45
ALOX5 P09917 1/20 0.42
CA2 P00918 1/20 0.41
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 4/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37

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
SCHEMBL1954828 0.92 ALOX5 (0.47) ACHEALOX5RAB9AALDH1A1TSHR
SCHEMBL11417635 0.89 ESR1 (0.43) ESR1ESR2CA2MAPTRAB9A
SCHEMBL77001 0.84 TRPM8 (0.53) ALOX5RAB9APOLBALDH1A1NPC1
SCHEMBL77003 0.84 TRPM8 (0.53) ALOX5RAB9APOLBALDH1A1NPC1
SCHEMBL6037581 0.83 ALDH1A1 (0.46) ACHEESR1ESR2MAPTRAB9A
SCHEMBL6037507 0.82 ACHE (0.50) ACHEALOX5RAB9AALDH1A1NPC1
SCHEMBL27296095 0.82 NPSR1 (0.52) ESR1ESR2CA2MAPTRAB9A
SCHEMBL6037549 0.81 ESR1 (0.38) ACHEESR1ESR2ALOX5MAPT
SCHEMBL6037557 0.81 BAZ2B (0.40) ACHEESR1ESR2ALOX5MAPT
P-Cresol SCHEMBL11583531 0.81 ACHE (0.59) ACHEESR1ESR2ALOX5CA2

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-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 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 (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 ACHE 2337/4885ESR1 4458/4885ESR2 3431/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ACHE 2337/4885ESR1 4458/4885ESR2 3431/4885

“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.