SCHEMBL6037516

SCHEMBL6037516

Cc1ccc(N(C(N)=O)c2ccc(F)cc2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.42
KDR P35968 1/20 0.39
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.35
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
ALOX5 P09917 1/20 0.34
HSD17B10 Q99714 1/20 0.34
STS P08842 1/20 0.34
PTGIR P43119 1/20 0.34
CYP1A2 P05177 1/20 0.33
HCRTR2 O43614 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
SCHEMBL6037479 0.88 KDR (0.42) MAPK14KDRSMN1; SMN2ALDH1A1MEN1
SCHEMBL6037549 0.83 ESR1 (0.38) KDRHSD17B1SMN1; SMN2ALDH1A1MEN1
SCHEMBL6037507 0.82 ACHE (0.50) MAPK14SMN1; SMN2ALDH1A1KMT2AACHE
SCHEMBL6037567 0.78 KDR (0.42) KDRHSD17B1HSD17B2ALDH1A1ALOX5
SCHEMBL6037577 0.77 PTGIR (0.49) MAPK14KDRALDH1A1MEN1KMT2A
SCHEMBL27608861 0.76 CDC7 (0.42) KDRHSD17B1HSD17B2SMN1; SMN2
SCHEMBL1954828 0.76 ALOX5 (0.47) SMN1; SMN2ALDH1A1MEN1KMT2AACHE
SCHEMBL6037488 0.75 KDR (0.46) MAPK14KDRMEN1KMT2AALOX5
SCHEMBL636848 0.74 TDP1 (0.35) HSD17B1HSD17B2ALDH1A1MEN1KMT2A
SCHEMBL6037557 0.74 BAZ2B (0.40) KDRSMN1; SMN2ALDH1A1MEN1KMT2A

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 MAPK14 2421/4885KDR 2349/4885HSD17B1 3458/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM MAPK14 2421/4885KDR 2349/4885HSD17B1 3458/4885

“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.