SCHEMBL5779945

SCHEMBL5779945

C#Cc1cccc(NC(=O)N(C=O)c2ccc3c(c2)OCO3)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.44
NPC1 O15118 11/20 0.44
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
SMN1; SMN2 Q16637 7/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
PAX8 Q06710 1/20 0.41
KLF5 Q13887 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 3/20 0.40
EPHX2 P34913 1/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL5492438 0.94 NPC1 (0.44) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5779652 0.89 NPC1 (0.49) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5779958 0.84 NPC1 (0.62) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5778441 0.84 RAB9A (0.54) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5783688 0.84 NPC1 (0.57) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5780781 0.84 RAB9A (0.46) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5778507 0.84 KMT2A (0.50) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5781867 0.84 RAB9A (0.61) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5495173 0.83 NPC1 (0.57) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5778753 0.83 FABP7 (0.49) RAB9ANPC1KMT2AMEN1SMN1; SMN2

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-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
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 RAB9A 3198/4885NPC1 332/4885KMT2A 4833/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 RAB9A 3041/4885NPC1 689/4885KMT2A 4709/4885

“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.