SCHEMBL5778507

SCHEMBL5778507

O=CN(C(=O)Nc1cccc(Br)c1)c1ccc2c(c1)OCO2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
HPGD P15428 2/20 0.50
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
MAOB P27338 1/20 0.50
UBE2M P61081 1/20 0.49
DCUN1D1 Q96GG9 1/20 0.49
RAB9A P51151 11/20 0.46
NPC1 O15118 10/20 0.46
MAPT P10636 4/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
TP53 P04637 2/20 0.43
PAX8 Q06710 1/20 0.43
KLF5 Q13887 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5496710 0.93 MAOB (0.59) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL5779958 0.87 NPC1 (0.62) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL5780935 0.87 NPC1 (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1MAOB
SCHEMBL5778441 0.87 RAB9A (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL5783688 0.87 NPC1 (0.57) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL5781867 0.86 RAB9A (0.61) KMT2AMEN1SMN1; SMN2HPGDMAOB
SCHEMBL5780781 0.86 RAB9A (0.46) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL5781994 0.85 RAB9A (0.62) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL5778753 0.85 FABP7 (0.49) KMT2AMEN1SMN1; SMN2HPGDALDH1A1
SCHEMBL5782160 0.84 CASP3 (0.51) KMT2AMEN1SMN1; SMN2HPGDALDH1A1

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-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
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 KMT2A 4833/4885MEN1 2213/4885SMN1; SMN2 2756/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 KMT2A 4709/4885MEN1 1988/4885SMN1; 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.