SCHEMBL5487894

SCHEMBL5487894

O=C(NC(=O)c1ccc2nccnc2c1)Nc1cccc(Oc2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
PLAU P00749 1/20 0.50
RAB9A P51151 5/20 0.48
NPC1 O15118 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TP53 P04637 1/20 0.48
ATM Q13315 1/20 0.47
AHR P35869 1/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
POLB P06746 3/20 0.47
NR1H4 Q96RI1 1/20 0.47
GAA P10253 2/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 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
SCHEMBL2866913 0.89 EPHX1 (0.55) MAPTALDH1A1PLAURAB9ANPC1
SCHEMBL28741342 0.85 MEN1 (0.65) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5488754 0.85 CCR2 (0.62) MAPTALDH1A1PLAURAB9ANPC1
SCHEMBL5493347 0.85 MGLL (0.55) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5492140 0.84 MAPT (0.47) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5488722 0.84 NPC1 (0.50) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL27509164 0.84 THRB (0.54) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL5496806 0.83 HPSE (0.54) ALDH1A1RAB9ANPC1SMN1; SMN2ATM
SCHEMBL10495538 0.83 RAB9A (0.66) MAPTALDH1A1PLAURAB9ANPC1
SCHEMBL5491211 0.82 HPSE (0.53) ALDH1A1RAB9ANPC1SMN1; SMN2ATM

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
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
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 MAPT 2283/4885ALDH1A1 2397/4885PLAU 251/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 MAPT 1663/4885ALDH1A1 2365/4885PLAU 304/4885

“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.