SCHEMBL5779949

SCHEMBL5779949

Cn1ccc2cc(C(=O)NC(=O)Nc3cccc(Cl)c3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.60
CCR2 P41597 1/20 0.55
GRM5 P41594 1/20 0.53
MEN1 O00255 7/20 0.50
KMT2A Q03164 7/20 0.50
MAPT P10636 6/20 0.50
KDM4E B2RXH2 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
RECQL P46063 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
HTR2B P41595 1/20 0.50
NPC1 O15118 7/20 0.49
RAB9A P51151 7/20 0.49
HTR2C P28335 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49

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
SCHEMBL5780609 0.86 MAOB (0.54) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL5779461 0.85 MAOB (0.82) MAOBCCR2MEN1KMT2AMAPT
SCHEMBL5778627 0.78 CCR2 (0.53) MAOBCCR2MEN1KMT2AMAPT
SCHEMBL5780884 0.77 MAOB (0.51) MAOBCCR2MEN1KMT2AMAPT
SCHEMBL5781894 0.77 MAPK11 (0.46) MAOBCCR2GRM5MEN1KMT2A
SCHEMBL5780807 0.76 MAOB (0.67) MAOBCCR2MEN1KMT2AMAPT
SCHEMBL15887043 0.75 MAOB (1.00) MAOBMEN1KMT2AMAPTKDM4E
SCHEMBL9080741 0.75 MEN1 (0.55) MAOBGRM5MEN1KMT2AMAPT
SCHEMBL5779412 0.75 ALDH1A1 (0.48) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL17322470 0.74 MAOB (0.80) MAOBMEN1KMT2AMAPTKDM4E

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 10 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
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 MAOB 2742/4885CCR2 3/4885GRM5 4201/4885
US-20040127513-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAOB 3387/4885CCR2 1/4885GRM5 2661/4885

“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.