SCHEMBL6037585

SCHEMBL6037585

Cc1ccc(N(C(N)=O)c2cccc(F)c2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.48
ESR2 Q92731 2/20 0.48
KDR P35968 1/20 0.44
MAPK14 Q16539 3/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HCRTR2 O43614 1/20 0.34
ALOX5 P09917 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
STS P08842 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
HDAC4 P56524 1/20 0.32

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
SCHEMBL6037488 0.88 KDR (0.46) ESR1ESR2KDRMAPK14HCRTR2
SCHEMBL6037537 0.84 ESR1 (0.45) ESR1ESR2KDRHSD17B1HSD17B2
SCHEMBL6037563 0.83 KDR (0.40) ESR1ESR2KDRALOX5TRPM8
SCHEMBL6037482 0.76 TRPM8 (0.40) ESR1ESR2KDRALOX5TRPM8
SCHEMBL2095981 0.76 ESR1 (0.48) ESR1ESR2HSD17B1HSD17B2TRPM8
SCHEMBL6037588 0.76 TRPM8 (0.40) KDRMAPK14ALOX5TRPM8TDP1
SCHEMBL6037502 0.76 ALDH1A1 (0.42) KDRHSD17B1HSD17B2ALOX5TRPM8
SCHEMBL1954828 0.76 ALOX5 (0.47) ALOX5TRPM8MEN1KMT2ATDP1
SCHEMBL6037479 0.76 KDR (0.42) ESR1ESR2KDRMAPK14MEN1
SCHEMBL6037507 0.75 ACHE (0.50) MAPK14ALOX5KMT2ATDP1ALDH1A1

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 3431/4885KDR 2349/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ESR1 4458/4885ESR2 3431/4885KDR 2349/4885

“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.