SCHEMBL5492280

SCHEMBL5492280

COC(=O)c1ccc(NC(=O)NC(=O)c2ccc3nccnc3c2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.52
MAPT P10636 6/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
GAA P10253 4/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
NPC1 O15118 7/20 0.49
RAB9A P51151 6/20 0.49
TP53 P04637 4/20 0.49
S1PR1 P21453 6/20 0.46
BRAF P15056 1/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45

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
SCHEMBL6181468 0.89 SMN1; SMN2 (0.50) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL5491191 0.85 MAPT (0.56) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL5495737 0.84 CCR2 (0.54) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL5489138 0.83 KDR (0.59) SMN1; SMN2MEN1KMT2AHTTNPC1
SCHEMBL5493852 0.82 KMT2A (0.55) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL27509542 0.79 SMN1; SMN2 (0.58) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL27601764 0.78 MAPT (0.55) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL5491281 0.77 SMN1; SMN2 (0.52) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL28741342 0.77 MEN1 (0.65) SMN1; SMN2MAPTMEN1KMT2AGAA
SCHEMBL27533283 0.76 BRAF (0.61) SMN1; SMN2MAPTMEN1KMT2AGAA

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 16 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
CN-1259315-C Antagonists of MCP-1 function and methods of use thereof TELIK INC (US) 2006-06-14 CN 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
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN 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
CN-1259315-C Antagonists of MCP-1 function and methods of use thereof TELIK INC (US) 2006-06-14 CN 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
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN disclosed
EP-1363897-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2003-11-26 EP disclosed
WO-2002070509-A2 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK, INC. (US) 2002-09-12 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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 SMN1; SMN2 3219/4885MAPT 2283/4885MEN1 2382/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 SMN1; SMN2 3141/4885MAPT 1663/4885MEN1 2483/4885

“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.