SCHEMBL6037557

SCHEMBL6037557

Cc1ccc(N(C(N)=O)c2cc(O)ccc2C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.40
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
ACHE P22303 2/20 0.36
KDR P35968 1/20 0.35
ALOX5 P09917 1/20 0.35
MAOB P27338 1/20 0.34
HTT P42858 3/20 0.33
MEN1 O00255 3/20 0.33
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C19 P33261 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
PKM P14618 2/20 0.33
ALOX15 P16050 2/20 0.33
CASP1 P29466 2/20 0.33
BRCA1 P38398 2/20 0.33
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL6037567 0.89 KDR (0.42) KDRALOX5HTTMAPTLMNA
SCHEMBL6037549 0.88 ESR1 (0.38) ESR1ESR2ACHEKDRALOX5
SCHEMBL6037486 0.81 ACHE (0.52) ESR1ESR2ACHEALOX5MAOB
SCHEMBL1954828 0.77 ALOX5 (0.47) ACHEALOX5HTTMEN1KMT2A
SCHEMBL9324570 0.76 NPSR1 (0.41) ESR1ESR2KDRHTTMEN1
SCHEMBL6037581 0.76 ALDH1A1 (0.46) ESR1ESR2ACHEHTTMEN1
SCHEMBL9322011 0.75 GAA (0.39) KDRMEN1MAPTKMT2ALMNA
SCHEMBL11583035 0.75 HSD17B1 (0.41) BAZ2BACHEMAOBHTTMEN1
SCHEMBL6037482 0.74 TRPM8 (0.40) ESR1ESR2KDRALOX5HTT
SCHEMBL6037516 0.74 MAPK14 (0.42) ACHEKDRALOX5MEN1KMT2A

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-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
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 BAZ2B 1558/4885ESR1 4458/4885ESR2 3431/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM BAZ2B 1558/4885ESR1 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.