SCHEMBL6037537

SCHEMBL6037537

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.45
ESR2 Q92731 2/20 0.45
ALDH1A1 P00352 5/20 0.39
KDR P35968 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALOX5 P09917 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
PTGER1 P34995 1/20 0.34
TP53 P04637 2/20 0.33
C5AR1 P21730 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL1954934 0.86 ALDH1A1 (0.43) ESR1ESR2ALDH1A1MEN1KMT2A
SCHEMBL6037563 0.86 KDR (0.40) ESR1ESR2KDRLMNASMN1; SMN2
SCHEMBL6037585 0.84 ESR1 (0.48) ESR1ESR2ALDH1A1KDRMEN1
SCHEMBL6037591 0.81 ESR1 (0.41) ESR1ESR2ALDH1A1KDRMEN1
SCHEMBL6037588 0.79 TRPM8 (0.40) ALDH1A1KDRLMNAMAPK1SMN1; SMN2
SCHEMBL6037482 0.79 TRPM8 (0.40) ESR1ESR2ALDH1A1KDRMEN1
SCHEMBL6037502 0.79 ALDH1A1 (0.42) ALDH1A1KDRLMNAHSD17B1HSD17B2
SCHEMBL1954828 0.78 ALOX5 (0.47) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL6037488 0.77 KDR (0.46) ESR1ESR2KDRMEN1KMT2A
SCHEMBL6037567 0.77 KDR (0.42) ALDH1A1KDRLMNAHSD17B1HSD17B2

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 3431/4885ALDH1A1 450/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM ESR1 4458/4885ESR2 3431/4885ALDH1A1 450/4885

“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.