SCHEMBL5853941

SCHEMBL5853941

[CH2]c1ccc(NC(=O)c2ccccc2N)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.65
FADS1 O60427 3/20 0.59
P2RX1 P51575 1/20 0.55
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
GAA P10253 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
PRKCI P41743 1/20 0.47
HPGD P15428 2/20 0.47

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
SCHEMBL17744848 0.91 PTGS1 (0.75) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL2127535 0.86 PTGS1 (0.69) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL30830441 0.86 PTGS1 (0.69) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL1140055 0.85 PTGS1 (0.68) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL4957349 0.84 LMNA (0.69) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL4954215 0.84 PTGS1 (0.67) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL15361168 0.83 SMN1; SMN2 (0.68) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL1961876 0.83 NPC1 (0.68) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL1961988 0.83 FADS1 (0.73) PTGS1FADS1P2RX1MEN1KMT2A
SCHEMBL12491782 0.83 MEN1 (0.66) PTGS1FADS1P2RX1MEN1KMT2A

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 19 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-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US claimed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 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-7001921-B1 Cell adhesion inhibitors BIOGEN IDEC MA INC. (US) 2006-02-21 US disclosed
US-6630512-B2 Antiinflammatory agents; autoimmune disease BIOGEN, INC. 2003-10-07 US disclosed
US-6624152-B2 Inhibition and prevention of cell adhesion and cell adhesion-mediated pathologies. This invention relates to pharmaceutical formulations comprising these compounds and methods of using them for inflammatory and autoimmune diseases BIOGEN, INC. 2003-09-23 US disclosed
US-20030083267-A1 Cell adhesion inhibitors BIOGEN, INC., A MASSACHUSETTS CORPORATION 2003-05-01 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
US-6306840-B1 ANTISTICKING AGENTS OF OLIGOPEPTIDES BIOGEN, INC. 2001-10-23 US disclosed
EP-1142867-A2 Cell adhesion inhibitors BIOGEN, INC. (US) 2001-10-10 EP 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 (3 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 PTGS1 355/4885FADS1 2591/4885P2RX1 1607/4885
US-20030083267-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM PTGS1 355/4885FADS1 2591/4885P2RX1 1607/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM PTGS1 355/4885FADS1 2591/4885P2RX1 1607/4885

“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.