SCHEMBL3989171

SCHEMBL3989171

CCN(CC)CCN(C)C(=O)c1ccc(-c2cc(C(N)=O)on2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 5/20 0.54
HDAC2 Q92769 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
MCHR1 Q99705 1/20 0.40
HPGD P15428 1/20 0.37
PARP1 P09874 2/20 0.37
SLC6A7 Q99884 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
ATR Q13535 1/20 0.36

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
SCHEMBL3989172 0.84 HDAC4 (0.54) HDAC4HDAC2HDAC8HDAC6SMN1; SMN2
SCHEMBL3989174 0.80 SMN1; SMN2 (0.44) HDAC4HDAC2HDAC8HDAC6RAB9A
SCHEMBL3986984 0.78 HDAC4 (0.42) HDAC4HDAC6RAB9ASMN1; SMN2PARP1
SCHEMBL3986234 0.78 SMN1; SMN2 (0.42) HDAC4RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL17211629 0.75 MAPT (0.47) RAB9ASMN1; SMN2NPC1CYP1A2MAPT
SCHEMBL3985563 0.74 SMN1; SMN2 (0.51) RAB9ASMN1; SMN2NPC1CYP1A2MAPT
SCHEMBL3984601 0.73 HDAC4 (0.45) HDAC4RAB9ASMN1; SMN2NPC1CYP1A2
SCHEMBL17211628 0.73 LOXL2 (0.50) RAB9ASMN1; SMN2NPC1CYP1A2MAPT
SCHEMBL3987264 0.73 PARP1 (0.50) HDAC2RAB9ASMN1; SMN2PARP1NPC1
SCHEMBL15774584 0.72 RAB9A (0.43) RAB9ASMN1; SMN2HPGDNPC1CYP1A2

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 13 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
EP-1893572-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-03-05 EP 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
WO-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO 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.