SCHEMBL6644338

SCHEMBL6644338

O=Cc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
NPC1 O15118 4/20 0.60
RAB9A P51151 4/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
ATM Q13315 1/20 0.59
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ALDH1A1 P00352 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
XBP1 P17861 1/20 0.49
KDM4E B2RXH2 1/20 0.47
CYP1A2 P05177 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP2C19 P33261 2/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL30679624 0.82 MAPT (0.79) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL5662106 0.81 NPC1 (0.73) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL12891948 0.79 MEN1 (0.63) ATMMEN1KMT2AHDAC8HCRTR1
SCHEMBL14381422 0.79 ATM (0.51) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1250058 0.79 MEN1 (0.63) ATMMEN1KMT2AHDAC8HCRTR1
SCHEMBL14529252 0.79 HCRTR1 (0.47) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL1250060 0.79 MEN1 (0.63) ATMMEN1KMT2AHDAC8HCRTR1
SCHEMBL31573999 0.78 MAPT (0.68) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL31573985 0.76 NPC1 (0.66) MAPTNPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL8371564 0.76 POLB (0.54) MAPTL3MBTL1SMN1; SMN2ATMTDP1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0948495-B1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC (US) 2004-04-14 EP disclosed
US-6605634-B2 Tumor necrosis factor alpha and interleukin-1 (IL-1) mediated diseases; pain, diabetes; cyclooxygenase inhibition AMGEN, INC. 2003-08-12 US disclosed
US-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents AMGEN INC. 2003-05-22 US disclosed
US-6440973-B1 Aryl and heteroaryl substituted fused pyrrole antiinflammatory agents AMGEN INC. 2002-08-27 US disclosed
US-6180643-B1 ANTAGONIST OF INTERLEUKINS, TUMOR NECROSIS FACTOR AMGEN INC. 2001-01-30 US disclosed
EP-0948495-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS Amgen Inc., (US) 1999-10-13 EP disclosed
WO-1998022457-A9 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS 1998-08-20 WO disclosed
WO-1998022457-A1 ARYL AND HETEROARYL SUBSTITUTED FUSED PYRROLE ANTIINFLAMMATORY AGENTS AMGEN INC. (US) 1998-05-28 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 (1 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-20030096819-A1 Aryl and heteroaryl substituted fused pyrrole anti-inflammatory agents TNF, IL1A, IL6 MAPT 4243/4885NPC1 3528/4885RAB9A 2574/4885

“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.