SCHEMBL5852218

SCHEMBL5852218

NC(=O)C(N)(c1cc[c]cc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.47
KCNN4 O15554 10/20 0.42
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
KIF11 P52732 3/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
PARP1 P09874 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
PMP22 Q01453 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL8169066 0.88 MAPT (0.58) MAPTKMT2AKCNN4HTTCYP1A2
SCHEMBL28091404 0.77 KMT2A (0.52) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL6824816 0.77 MAPT (0.47) MAPTKMT2AKCNN4HTTCYP1A2
SCHEMBL6824958 0.73 KIF11 (0.48) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL11243452 0.72 CYP2C9 (0.59) MAPTKMT2AKCNN4HTTCYP1A2
SCHEMBL638306 0.72 CYP1A2 (0.54) MAPTKMT2AKCNN4HTTCYP1A2
SCHEMBL6821772 0.72 CES1 (0.50) KMT2APOLBTSHRTDP1L3MBTL1
SCHEMBL27270394 0.71 CYP1A2 (0.35) MAPTKMT2ACYP1A2CYP2D6
SCHEMBL27860651 0.71 KCNN4 (0.44) MAPTKMT2AKCNN4CYP1A2CYP2D6
SCHEMBL27752377 0.70 KCNN4 (0.45) MAPTKMT2AKCNN4HTTCYP1A2

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 21 patents — showing the first 20. 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-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 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-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 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 (3 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 MAPT 2771/4885KMT2A 3376/4885KCNN4 4734/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MAPT 2771/4885KMT2A 3376/4885KCNN4 4734/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MAPT 2771/4885KMT2A 3376/4885KCNN4 4734/4885

“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.