SCHEMBL5780696

SCHEMBL5780696

O=CN(C(=O)Nc1ccc(Cl)cc1)c1ccc2ncoc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.47
NPC1 O15118 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
P2RX4 Q99571 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NAMPT P43490 1/20 0.38
CSF1R P07333 1/20 0.37
PTPN7 P35236 1/20 0.37
PKM P14618 1/20 0.36
EPHX2 P34913 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 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
SCHEMBL5779995 0.91 RAB9A (0.47) RAB9ANPC1SMN1; SMN2KDM4ETSHR
SCHEMBL5779555 0.89 NPC1 (0.46) RAB9ANPC1SMN1; SMN2P2RX4KDM4E
SCHEMBL5778894 0.88 RAB9A (0.47) RAB9ANPC1SMN1; SMN2P2RX4TSHR
SCHEMBL5783131 0.86 NPC1 (0.45) RAB9ANPC1SMN1; SMN2P2RX4LMNA
SCHEMBL6767631 0.84 NPC1 (0.40) RAB9ANPC1SMN1; SMN2P2RX4KDM4E
SCHEMBL5781978 0.82 GRM4 (0.42) RAB9ANPC1SMN1; SMN2P2RX4LMNA
SCHEMBL5781453 0.81 NPC1 (0.40) RAB9ANPC1SMN1; SMN2P2RX4MAPT
SCHEMBL5779171 0.81 NPC1 (0.47) RAB9ANPC1SMN1; SMN2P2RX4TSHR
SCHEMBL5779444 0.80 NPC1 (0.46) RAB9ANPC1SMN1; SMN2KDM4ELMNA
SCHEMBL5779154 0.80 NPC1 (0.47) RAB9ANPC1SMN1; SMN2KDM4EMAPT

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 RAB9A 3041/4885NPC1 689/4885SMN1; 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.