SCHEMBL5778499

SCHEMBL5778499

O=CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc2ncoc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 2/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 1/20 0.42
APAF1 O14727 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
BLM P54132 1/20 0.42
MCL1 Q07820 1/20 0.42
ESR2 Q92731 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CSF1R P07333 1/20 0.41

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
SCHEMBL5777684 0.92 TP53 (0.47) TP53RAB9ASMN1; SMN2NPC1POLB
SCHEMBL5781453 0.91 NPC1 (0.40) TP53RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL5783131 0.89 NPC1 (0.45) RAB9ASMN1; SMN2NPC1POLBMAPT
SCHEMBL5778737 0.85 NPC1 (0.43) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL5779171 0.85 NPC1 (0.47) TP53RAB9ASMN1; SMN2NPC1KMT2A
SCHEMBL5778894 0.85 RAB9A (0.47) TP53RAB9ASMN1; SMN2NPC1POLB
SCHEMBL5493967 0.83 TP53 (0.51) TP53RAB9APOLBMAPTALDH1A1
SCHEMBL5781978 0.83 GRM4 (0.42) RAB9ASMN1; SMN2NPC1BLMLMNA
SCHEMBL5780199 0.82 NPC1 (0.40) RAB9ASMN1; SMN2NPC1MAPTALDH1A1
SCHEMBL5780063 0.82 SMN1; SMN2 (0.45) RAB9ASMN1; SMN2NPC1MAPTALDH1A1

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 8 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
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 TP53 2097/4885RAB9A 3198/4885SMN1; SMN2 2756/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 TP53 2886/4885RAB9A 3041/4885SMN1; SMN2 3130/4885

“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.