SCHEMBL5779748

SCHEMBL5779748

O=CN(C(=O)Nc1cccc(Br)c1)c1ccc2ocnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NAMPT P43490 1/20 0.40
TGM2 P21980 1/20 0.39
EGFR P00533 10/20 0.38
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
ERBB2 P04626 3/20 0.37
PDGFRB P09619 2/20 0.37
KIT P10721 2/20 0.37
FLT1 P17948 2/20 0.37
FLT4 P35916 2/20 0.37
KDR P35968 2/20 0.37
FYN P06241 1/20 0.37
SRC P12931 1/20 0.37
BLK P51451 1/20 0.37
BMX P51813 1/20 0.37
JAK3 P52333 1/20 0.37
BTK Q06187 1/20 0.37

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
SCHEMBL5779171 0.92 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NAMPTTGM2
SCHEMBL5778474 0.87 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NAMPTEGFR
SCHEMBL5778804 0.87 RAB9A (0.47) NPC1RAB9ASMN1; SMN2NAMPTMEN1
SCHEMBL5777684 0.85 TP53 (0.47) NPC1RAB9ASMN1; SMN2EGFRKDR
SCHEMBL5779444 0.82 NPC1 (0.46) NPC1RAB9ASMN1; SMN2NAMPTGAA
SCHEMBL5779154 0.81 NPC1 (0.47) NPC1RAB9ASMN1; SMN2NAMPTTGM2
SCHEMBL5779995 0.81 RAB9A (0.47) NPC1RAB9ASMN1; SMN2NAMPTCTNNB1
SCHEMBL5487253 0.81 KMT2A (0.43) NPC1RAB9ASMN1; SMN2TGM2EGFR
SCHEMBL5778149 0.79 NPC1 (0.45) NPC1RAB9ASMN1; SMN2NAMPTTGM2
SCHEMBL5780199 0.79 NPC1 (0.40) NPC1RAB9ASMN1; SMN2NAMPTCTNNB1

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 11 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-6677365-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE; RHEUMATIC DISEASES; CARDIOVASCULAR DISORDERS TELIK, INC. 2004-01-13 US 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
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 (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 3198/4885SMN1; SMN2 2756/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 NPC1 689/4885RAB9A 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.