SCHEMBL6037567

SCHEMBL6037567

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.42
ALOX5 P09917 1/20 0.38
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 1/20 0.35
PARP1 P09874 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
GRM2 Q14416 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 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 0.89 BAZ2B (0.40) KDRALOX5ALDH1A1TDP1POLB
SCHEMBL1954828 0.81 ALOX5 (0.47) ALOX5ALDH1A1TDP1HPGDGAA
SCHEMBL9324570 0.80 NPSR1 (0.41) KDRALDH1A1TDP1POLBTRPM8
SCHEMBL9322011 0.79 GAA (0.39) KDRALDH1A1TDP1POLBGAA
SCHEMBL6037549 0.79 ESR1 (0.38) KDRALOX5ALDH1A1TDP1GAA
SCHEMBL7162705 0.78 NPC1 (0.42) KDRALDH1A1TDP1POLBHPGD
SCHEMBL6037516 0.78 MAPK14 (0.42) KDRALOX5ALDH1A1HSD17B1HSD17B2
SCHEMBL6037537 0.77 ESR1 (0.45) KDRALOX5ALDH1A1TRPM8HSD17B1
SCHEMBL6037563 0.76 KDR (0.40) KDRALOX5TDP1POLBHPGD
SCHEMBL6037502 0.75 ALDH1A1 (0.42) KDRALOX5ALDH1A1HPGDGAA

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 KDR 2349/4885ALOX5 124/4885ALDH1A1 450/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KDR 2349/4885ALOX5 124/4885ALDH1A1 450/4885

“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.