SCHEMBL3984563

SCHEMBL3984563

CCN(CC)CCN(C)C(=O)c1ccc(C2=NOC(C(N)=O)C2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
MIF P14174 2/20 0.42
APAF1 O14727 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL3984566 0.85 HDAC6 (0.48) HDAC4HDAC2HDAC8HDAC6NPC1
SCHEMBL3979800 0.83 MIF (0.49) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3985660 0.81 NPC1 (0.49) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3983930 0.80 NPC1 (0.45) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3982955 0.80 HTT (0.47) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3989737 0.75 ALDH1A1 (0.47) HDAC4NPC1RAB9ALMNASMN1; SMN2
SCHEMBL3990074 0.74 NPC1 (0.48) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3990123 0.73 F2 (0.43) NPC1RAB9ALMNASMN1; SMN2HTT
SCHEMBL3983301 0.73 MEN1 (0.60) LMNASMN1; SMN2HTTCA1CA2
SCHEMBL3985236 0.72 NPC1 (0.44) NPC1RAB9ALMNASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP claimed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US claimed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US claimed
EP-1893572-B1 FACTOR XA INHIBITORS MILLENNIUM PHARM INC (US) 2016-12-14 EP disclosed
US-8377974-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-19 US disclosed
US-20120178733-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2012-07-12 US disclosed
US-20090298806-A1 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. 2009-12-03 US disclosed
US-7521470-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-04-21 US disclosed
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP disclosed
US-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-11 US disclosed
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 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 (3 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-20060100193-A1 5-Chloro-N-((1-(4-(2-oxopyridin-1(2H)-yl)phenyl)-1H-1,2,3-triazol-4-yl)methyl)thiophene-2-carboxamide; 5-Chloro-thiophene-2-carboxylic acid (3-p-tolyl-4,5-dihydro-isoxazol-5-ylmethyl)-amide; undesirable thrombosis inhibitor TFPI, TFPI2, F12 HDAC4 928/4885HDAC2 343/4885HDAC8 443/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC4 1245/4885HDAC2 812/4885HDAC8 933/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HDAC4 1245/4885HDAC2 812/4885HDAC8 933/4885

“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.