SCHEMBL5778618

SCHEMBL5778618

O=CN(C(=O)Nc1cccc(-c2ccccn2)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.47
RAB9A P51151 8/20 0.47
KDM4E B2RXH2 5/20 0.45
CNR1 P21554 3/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPK1 P28482 2/20 0.45
USP2 O75604 1/20 0.45
ALDH1A1 P00352 1/20 0.45
ESR1 P03372 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 4/20 0.42
PKM P14618 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL5489705 0.94 NPC1 (0.47) NPC1RAB9AKDM4ECNR1MAPK1
SCHEMBL5778753 0.87 FABP7 (0.49) NPC1RAB9AKDM4ECNR1HSD17B10
SCHEMBL5781880 0.83 CASR (0.43) NPC1RAB9AKDM4ECNR1HSD17B10
SCHEMBL5778441 0.82 RAB9A (0.54) NPC1RAB9AKDM4EHSD17B10USP2
SCHEMBL5781994 0.81 RAB9A (0.62) NPC1RAB9AKDM4EHSD17B10MAPK1
SCHEMBL5493814 0.81 NPC1 (0.45) NPC1RAB9ACNR1HSD17B10USP2
SCHEMBL5778778 0.80 MAPT (0.44) NPC1RAB9ACNR1HSD17B10MAPK1
SCHEMBL5780677 0.80 FAAH (0.48) NPC1RAB9AKDM4ECNR1HSD17B10
SCHEMBL5779958 0.80 NPC1 (0.62) NPC1RAB9AHSD17B10MAPK1USP2
SCHEMBL5783688 0.80 NPC1 (0.57) NPC1RAB9AALDH1A1POLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP claimed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US claimed
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. 2004-07-01 US claimed
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP claimed
US-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-05-15 US claimed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 WO claimed
EP-1383757-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2006-09-27 EP disclosed
US-6998407-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2006-02-14 US disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US 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-20030092728-A1 Antagonists of MCP-1 function and methods of use thereof CCL11, CCR1, CCR2 NPC1 332/4885RAB9A 3198/4885KDM4E 4828/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 3041/4885KDM4E 4662/4885

“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.