SCHEMBL6037538

SCHEMBL6037538

COc1cc(C)ccc1N(C(N)=O)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
KCNMA1 Q12791 1/20 0.41
ACHE P22303 1/20 0.41
HPGD P15428 3/20 0.38
TP53 P04637 2/20 0.38
TSHR P16473 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 4/20 0.37
HTT P42858 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPT P10636 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
PLAU P00749 1/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 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
SCHEMBL8790904 0.88 MEN1 (0.43) IDO1TDO2KCNMA1ACHEHPGD
SCHEMBL27517615 0.86 TP53 (0.48) HPGDTP53TSHRCA1CA2
SCHEMBL27479340 0.85 TSHR (0.37) ACHEHPGDTP53TSHRCA1
SCHEMBL7244019 0.83 TSHR (0.44) IDO1TDO2ACHEHPGDTSHR
SCHEMBL27560714 0.78 TP53 (0.41) ACHETP53TSHRCA1CA2
SCHEMBL10424602 0.77 CA1 (0.50) TP53TSHRCA1CA2ALDH1A1
SCHEMBL6037570 0.77 TP53 (0.38) TP53TSHRKMT2AMAPTSMN1; SMN2
SCHEMBL6037482 0.75 TRPM8 (0.40) HPGDTP53TSHRALDH1A1KMT2A
SCHEMBL27515970 0.75 PTK2 (0.36) IDO1TDO2ACHEKMT2AHTT
SCHEMBL6037535 0.75 KMT2A (0.42) HPGDTP53ALDH1A1KMT2AL3MBTL1

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 IDO1 1431/4885TDO2 4785/4885KCNMA1 2464/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM IDO1 1431/4885TDO2 4785/4885KCNMA1 2464/4885

“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.