SCHEMBL6037591

SCHEMBL6037591

Cc1ccc(N(C(N)=O)c2c(C)cccc2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALOX5 P09917 1/20 0.39
MAPK14 Q16539 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 3/20 0.37
ALDH1A1 P00352 3/20 0.36
KDR P35968 1/20 0.36
PARP1 P09874 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
HCRTR2 O43614 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN2A Q99250 1/20 0.34
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
SCHEMBL6037517 0.90 ESR1 (0.41) ESR1ESR2ALOX5MAPK14TRPM8
SCHEMBL1954828 0.82 ALOX5 (0.47) ALOX5TRPM8TSHRMEN1KMT2A
SCHEMBL6037537 0.81 ESR1 (0.45) ESR1ESR2ALOX5TRPM8TSHR
SCHEMBL6239746 0.81 TSHR (0.44) ESR1ESR2TSHRMEN1KMT2A
SCHEMBL77003 0.79 TRPM8 (0.53) ALOX5TRPM8TSHRMEN1KMT2A
SCHEMBL77001 0.79 TRPM8 (0.53) ALOX5TRPM8TSHRMEN1KMT2A
SCHEMBL6037486 0.76 ACHE (0.52) ESR1ESR2ALOX5TRPM8TSHR
SCHEMBL6624347 0.75 SLC9A1 (0.38) ESR1ESR2TSHRMEN1KMT2A
SCHEMBL6037581 0.75 ALDH1A1 (0.46) ESR1ESR2TRPM8TSHRMEN1
SCHEMBL6037507 0.74 ACHE (0.50) ALOX5MAPK14TSHRKMT2AALDH1A1

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 3431/4885ALOX5 124/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ESR1 4458/4885ESR2 3431/4885ALOX5 124/4885

“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.