SCHEMBL6037549

SCHEMBL6037549

Cc1ccc(N(C(N)=O)c2ccc(O)cc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MAOB P27338 1/20 0.36
CYTH2 Q99418 1/20 0.36
ACHE P22303 1/20 0.36
KDR P35968 1/20 0.35
ALOX5 P09917 1/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KIF11 P52732 1/20 0.33
HSD17B1 P14061 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 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
SCHEMBL6037557 0.88 BAZ2B (0.40) ESR1ESR2MAOBCYTH2ACHE
SCHEMBL6037516 0.83 MAPK14 (0.42) ACHEKDRALOX5MEN1KMT2A
SCHEMBL6037486 0.81 ACHE (0.52) ESR1ESR2MAOBACHEALOX5
SCHEMBL6037567 0.79 KDR (0.42) KDRALOX5MAPTHTTALDH1A1
SCHEMBL27608861 0.77 CDC7 (0.42) KDRMAPTKIF11HSD17B1SMN1; SMN2
SCHEMBL1954828 0.77 ALOX5 (0.47) ACHEALOX5MEN1HTTKMT2A
SCHEMBL6037581 0.76 ALDH1A1 (0.46) ESR1ESR2ACHEMEN1MAPT
SCHEMBL27653559 0.76 BAZ2B (0.40) MAPTALDH1A1KIF11HSD17B1TP53
SCHEMBL20385011 0.75 ACHE (0.43) ESR1ESR2CYTH2ACHERAB9A
SCHEMBL6037482 0.74 TRPM8 (0.40) ESR1ESR2KDRALOX5MEN1

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 ESR1 4458/4885ESR2 3431/4885MAOB 1629/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ESR1 4458/4885ESR2 3431/4885MAOB 1629/4885

“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.