SCHEMBL5489236

SCHEMBL5489236

CC(C)c1cccc(NC(=O)NC(=O)c2ccc3nccnc3c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
NPC1 O15118 10/20 0.48
RAB9A P51151 9/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
POLB P06746 2/20 0.48
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 5/20 0.46
MAPT P10636 5/20 0.46
TP53 P04637 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
KLK7 P49862 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46

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
SCHEMBL5488754 0.84 CCR2 (0.62) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5496806 0.82 HPSE (0.54) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5497152 0.82 NPC1 (0.53) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5487573 0.82 KMT2A (0.72) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5491211 0.81 HPSE (0.53) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5493347 0.81 MGLL (0.55) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5491206 0.80 NPC1 (0.52) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5488722 0.80 NPC1 (0.50) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL27563842 0.80 ATM (0.49) ATMNPC1RAB9AMEN1KMT2A
SCHEMBL5495459 0.79 GRM4 (0.53) ATMNPC1RAB9AMEN1KMT2A

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
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US claimed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 WO claimed
US-7297696-B2 Antagonists of MCP-1 function and methods of use thereof TELIK, INC. (US) 2007-11-20 US disclosed
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP disclosed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US disclosed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 ATM 1541/4885NPC1 877/4885RAB9A 3267/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 ATM 1806/4885NPC1 686/4885RAB9A 3249/4885

“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.