SCHEMBL6037534

SCHEMBL6037534

Cc1ccc(N(C(N)=O)c2ccccc2C)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.36
HSD17B2 P37059 2/20 0.36
NOTUM Q6P988 2/20 0.36
P2RX7 Q99572 2/20 0.35
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
STS P08842 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
LMNA P02545 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
MAPK14 Q16539 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
GPR55 Q9Y2T6 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
SCHEMBL6037533 0.83 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CHDAC1HDAC6
SCHEMBL6809913 0.80 SIGMAR1 (0.36) HSD17B1HSD17B2SIGMAR1NPSR1LMNA
SCHEMBL1954826 0.79 SIGMAR1 (0.44) HSD17B1HSD17B2SIGMAR1NPSR1LMNA
SCHEMBL7416227 0.78 SIGMAR1 (0.37) HSD17B1HSD17B2SIGMAR1NPSR1LMNA
SCHEMBL5994911 0.77 SIGMAR1 (0.36) HSD17B1HSD17B2SIGMAR1NPSR1LMNA
SCHEMBL27476794 0.73 TRPM8 (0.38) HSD17B1HSD17B2NOTUMSIGMAR1NPSR1
SCHEMBL3892110 0.72 TRPM8 (0.47) LMNAHPGDSMN1; SMN2
SCHEMBL5477921 0.72 LMNA (0.45) NPSR1LMNAESR1KDM4EMAPT
SCHEMBL28425336 0.72 NPC1 (0.45) SIGMAR1NPSR1LMNAKDM4EMAPT
SCHEMBL6033646 0.72 TRPM8 (0.38) HSD17B1HSD17B2SIGMAR1LMNAESR1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B1 3458/4885HSD17B2 3746/4885NOTUM 1811/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM HSD17B1 3458/4885HSD17B2 3746/4885NOTUM 1811/4885

“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.