SCHEMBL6037565

SCHEMBL6037565

Cc1ccc(OC(=O)Nc2ccccc2C)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
NPSR1 Q6W5P4 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 4/20 0.53
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.51
MEN1 O00255 1/20 0.51
CYP1A2 P05177 1/20 0.51
ALOX12 P18054 1/20 0.50
GAA P10253 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.49
ACHE P22303 5/20 0.48
BCHE P06276 2/20 0.48

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
SCHEMBL8177930 0.90 KMT2A (0.71) KMT2ANPC1RAB9ANPSR1HTT
SCHEMBL6037564 0.87 KMT2A (0.57) KMT2ANPC1RAB9AHTTHPGD
SCHEMBL6632218 0.86 KMT2A (0.59) KMT2ANPC1RAB9AHPGDALDH1A1
SCHEMBL27714667 0.84 KMT2A (0.57) KMT2ANPC1RAB9ANPSR1L3MBTL1
SCHEMBL11481080 0.80 KMT2A (0.60) KMT2ANPC1RAB9ANPSR1KDM4E
SCHEMBL6037493 0.79 ALDH1A1 (0.75) KMT2ARAB9AHTTALDH1A1KDM4E
SCHEMBL7980688 0.79 KMT2A (0.59) KMT2ANPC1RAB9ANPSR1L3MBTL1
SCHEMBL17019166 0.79 CA2 (0.52)
SCHEMBL1952349 0.79 KMT2A (0.62) KMT2ANPC1RAB9ANPSR1L3MBTL1
SCHEMBL1720197 0.78 NPC1 (0.67) NPC1RAB9AL3MBTL1HTTHPGD

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 KMT2A 3376/4885NPC1 2649/4885RAB9A 1779/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM KMT2A 3376/4885NPC1 2649/4885RAB9A 1779/4885

“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.