SCHEMBL3984166

SCHEMBL3984166

N=C(c1ccc(-c2cc(C(N)=O)on2)cc1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.39
SCD O00767 1/20 0.39
RAB9A P51151 10/20 0.39
NPC1 O15118 9/20 0.39
POLB P06746 1/20 0.37
HDAC4 P56524 2/20 0.37
HDAC6 Q9UBN7 1/20 0.37
PARP1 P09874 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 2/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
F10 P00742 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 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
SCHEMBL3989804 0.99 HPGD (0.42) HPGDLMNASCDRAB9ANPC1
SCHEMBL3986527 0.97 SCD (0.39) HPGDLMNASCDRAB9ANPC1
SCHEMBL3990069 0.87 HPGD (0.50) HPGDRAB9ANPC1POLBHDAC4
SCHEMBL3989769 0.83 LMNA (0.38) HPGDLMNARAB9ANPC1POLB
SCHEMBL3990460 0.82 NPC1 (0.42) SCDRAB9ANPC1PARP1F10
SCHEMBL3980198 0.82 AR (0.37) LMNASCDRAB9ANPC1ALDH1A1
SCHEMBL3988495 0.82 NOTUM (0.39) HPGDLMNARAB9ANPC1POLB
SCHEMBL3984496 0.82 LMNA (0.40) HPGDLMNARAB9ANPC1HDAC4
SCHEMBL3990035 0.82 ACKR3 (0.43) LMNASCDNPC1PARP1F10
SCHEMBL4274129 0.81 AR (0.39) HPGDLMNASCDRAB9ANPC1

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 HPGD 1171/4885LMNA 1320/4885SCD 3729/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 316/4885LMNA 734/4885SCD 2658/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 HPGD 316/4885LMNA 734/4885SCD 2658/4885

“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.