SCHEMBL5781978

SCHEMBL5781978

O=CN(C(=O)Nc1ccc(F)c(C(F)(F)F)c1)c1ccc2ncoc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CDK8 P49336 2/20 0.39
AR P10275 1/20 0.38
P2RX4 Q99571 2/20 0.38
RIPK1 Q13546 2/20 0.37
KDR P35968 4/20 0.36
KIT P10721 1/20 0.36
FLT3 P36888 1/20 0.36
LMNA P02545 1/20 0.36
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36
ULK1 O75385 1/20 0.36
ULK2 Q8IYT8 1/20 0.36
BRAF P15056 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL5783131 0.86 NPC1 (0.45) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5781453 0.84 NPC1 (0.40) NPC1RAB9ASMN1; SMN2P2RX4
SCHEMBL5778499 0.83 TP53 (0.47) NPC1RAB9ASMN1; SMN2LMNABLM
SCHEMBL5780696 0.82 RAB9A (0.47) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5779555 0.81 NPC1 (0.46) GRM4NPC1RAB9ASMN1; SMN2P2RX4
SCHEMBL5778894 0.80 RAB9A (0.47) GRM4NPC1RAB9ASMN1; SMN2P2RX4
SCHEMBL5778737 0.79 NPC1 (0.43) NPC1RAB9ASMN1; SMN2P2RX4KDR
SCHEMBL5778149 0.78 NPC1 (0.45) NPC1RAB9ASMN1; SMN2KDR
SCHEMBL5779171 0.78 NPC1 (0.47) NPC1RAB9ASMN1; SMN2P2RX4LMNA
SCHEMBL5488751 0.77 MAOB (0.45) NPC1RAB9ASMN1; SMN2AR

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-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
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
EP-1383757-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2004-01-28 EP disclosed
US-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US disclosed
WO-2002081463-A1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-10-17 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 (1 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-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 GRM4 2682/4885NPC1 689/4885RAB9A 3041/4885

“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.