SCHEMBL6037587

SCHEMBL6037587

[CH2]c1ccc(NC(=O)c2ccccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.65
RAB9A P51151 7/20 0.65
SMN1; SMN2 Q16637 7/20 0.65
GRM4 Q14833 5/20 0.65
PKM P14618 4/20 0.65
MAPT P10636 2/20 0.65
KDM4E B2RXH2 2/20 0.61
MITF O75030 1/20 0.61
KDR P35968 4/20 0.60
HTT P42858 2/20 0.58
TP53 P04637 1/20 0.58
MAPK1 P28482 1/20 0.58
KLF5 Q13887 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56

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
SCHEMBL231897 0.85 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL28947571 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL29184186 0.84 KDR (0.76) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL18993402 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL20990144 0.83 NPC1 (0.67) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL7988912 0.83 NPC1 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL6037590 0.83 KDR (0.78) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL10415452 0.83 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL30686047 0.83 GRM4 (0.65) NPC1RAB9ASMN1; SMN2GRM4PKM
SCHEMBL16592903 0.83 NPC1 (0.69) NPC1RAB9ASMN1; SMN2GRM4PKM

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.