SCHEMBL6037545

SCHEMBL6037545

[CH2]c1ccc(Nc2nc3ccccc3s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 9/20 0.75
RAB9A P51151 9/20 0.75
SMN1; SMN2 Q16637 9/20 0.75
MAPT P10636 5/20 0.75
MEN1 O00255 4/20 0.75
KMT2A Q03164 4/20 0.75
CASP3 P42574 1/20 0.75
SENP8 Q96LD8 1/20 0.75
SENP7 Q9BQF6 1/20 0.75
SENP6 Q9GZR1 1/20 0.75
POLB P06746 1/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
ALDH1A1 P00352 3/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
ALOX15 P16050 1/20 0.62
CYP2C19 P33261 1/20 0.62

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
SCHEMBL30195363 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1821021 0.86 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1752748 0.83 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL4602494 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1821678 0.83 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1819416 0.83 NPC1 (0.81) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL5017000 0.83 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL1304004 0.83 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL20380313 0.83 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTMEN1
SCHEMBL3112891 0.82 NPC1 (0.78) NPC1RAB9ASMN1; SMN2MAPTMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NPC1 2649/4885RAB9A 1779/4885SMN1; SMN2 3410/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885SMN1; SMN2 3410/4885

“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.