SCHEMBL6037515

SCHEMBL6037515

[CH2]c1ccc(NC(=O)c2cc[nH]c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
APEX1 P27695 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TOP1 P11387 2/20 0.42
PTPN1 P18031 2/20 0.42
TOP2A P11388 1/20 0.42
TOP2B Q02880 1/20 0.42
SIRT1 Q96EB6 1/20 0.41
NQO2 P16083 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TAS2R8 Q9NYW2 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL18993451 0.82 NPC1 (0.43) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL8772217 0.82 POLB (0.54) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6037520 0.82 RAB9A (0.67) NPC1RAB9AMEN1POLBKMT2A
Hydrochloric Acid SCHEMBL31228747 0.81 PTPN1 (0.58) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL6954756 0.81 PTPN1 (0.58) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL16416801 0.79 KDM4E (0.67) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL16692745 0.78 TRPV4 (0.43) NPC1RAB9AMEN1POLBKMT2A
SCHEMBL27578361 0.78 NPC1 (0.66) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL1378891 0.77 SMN1; SMN2 (0.50) NPC1RAB9AMEN1KMT2ALMNA
SCHEMBL94654 0.76 PTPN1 (0.71) NPC1RAB9AMEN1POLBKMT2A

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 1779/4885MEN1 1437/4885
US-20030018016-A1 Cell adhesion inhibitors ICAM1, VCAM1, EPCAM NPC1 2649/4885RAB9A 1779/4885MEN1 1437/4885

“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.