SCHEMBL3074897

SCHEMBL3074897

NCCNC(=O)c1cc(OCc2ccccc2)ccc1OCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 2/20 0.65
NPC1 O15118 2/20 0.57
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
RAB9A P51151 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
BRD4 O60885 2/20 0.55
SGMS2 Q8NHU3 1/20 0.53
SPHK1 Q9NYA1 1/20 0.50
AKR1C3 P42330 1/20 0.49
LRRK2 Q5S007 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MTNR1B P49286 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTSV O60911 1/20 0.47
CTSL P07711 1/20 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
SCHEMBL8656384 0.89 HDAC1 (0.56) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL9365374 0.87 KMT2A (0.54) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL8660104 0.85 MEN1 (0.55) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL9362032 0.85 HDAC1 (0.55) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL8891107 0.84 NPC1 (0.54) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL8891232 0.83 KMT2A (0.53) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL8656388 0.83 ALDH1A1 (0.58) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL8659610 0.83 ALDH1A1 (0.58) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL8658543 0.83 ALDH1A1 (0.58) SPHK2NPC1KMT2AMEN1RAB9A
SCHEMBL8659682 0.82 HDAC1 (0.54) SPHK2NPC1KMT2AMEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100310540-A1 METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE TAFIA ACTIVITY, COMPOUNDS, AND METHODS OF USING THE COMPOUNDS GREENFIELD ROBERT S 2010-12-09 US disclosed
US-7767646-B2 Methods of screening for compounds that modulate TAFIa activity, compounds, and methods of using the compounds AMERICAN DIAGNOSTICA, INC. (US) 2010-08-03 US disclosed
EP-1664327-A2 METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE TAFIa ACTIVITY, COMPOUNDS, AND METHODS OF USING THE COMPOUNDS AMERICAN DIAGNOSTICA, INC. (US) 2009-12-02 EP disclosed
US-20080305508-A1 Methods of screening for compounds that modulate TAFIa activity, compounds, and methods of using the compounds BIOMEDICA DIAGNOSTICS INC. (CA) 2008-12-11 US disclosed
US-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors AMERICAN DIAGNOSTICA INC. 2008-11-13 US disclosed
EP-1960395-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS American Diagnostica Inc. (US) 2008-08-27 EP disclosed
WO-2007065261-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITORS AMERICAN DIAGNOSTICA INC. (US) 2007-06-14 WO disclosed
US-7119068-B2 Methods of screening for compounds that modulate TAFIa activity, compounds, and methods of using the compounds AMERICAN DIAGNOSTICA, INC. (US) 2006-10-10 US disclosed
US-20050222096-A1 Methods of screening for compounds that modulate TAFIa activity, compounds, and methods of using the compounds SEKISUI DIAGNOSTICS, LLC 2005-10-06 US disclosed
WO-2004019882-A2 METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE TAFIa ACTIVITY, COMPOUNDS, AND METHODS OF USING THE COMPOUNDS AMERICAN DIAGNOSTICA, INC. (US) 2004-03-11 WO disclosed
US-4167581-A 1-ARYLOXY-3-(ACYLAMINO)ALKYLAMINO-2-PROPANOL ADRENERGIC BLOCKING, AGENTS AND CARDIAC STIMULANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1979-09-11 US disclosed
US-4131685-A ADRENERGIC BLOCKING AGENT, CARDIAC STIMULANT IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1978-12-26 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 (4 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-20080280920-A1 Plasminogen Activator Inhibitor-1 Inhibitors SERPINE1, SERPINC1, SERPINB1 SPHK2 3561/4885NPC1 2309/4885KMT2A 4377/4885
US-20100310540-A1 METHODS OF SCREENING FOR COMPOUNDS THAT MODULATE TAFIA ACTIVITY, COMPOUNDS, AND METHODS OF USING THE COMPOUNDS TFPI, TFPI2, SERPINC1 SPHK2 2854/4885NPC1 4663/4885KMT2A 4443/4885
US-20050222096-A1 Methods of screening for compounds that modulate TAFIa activity, compounds, and methods of using the compounds TFPI, TFPI2, SERPINC1 SPHK2 2223/4885NPC1 4748/4885KMT2A 4542/4885
US-20080305508-A1 Methods of screening for compounds that modulate TAFIa activity, compounds, and methods of using the compounds TFPI, TFPI2, SERPINC1 SPHK2 2854/4885NPC1 4663/4885KMT2A 4443/4885

“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.