SCHEMBL4276306

SCHEMBL4276306

CN(Cc1ccco1)C(=N)c1ccc(C2=NOC(C(N)=O)C2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
LMNA P02545 5/20 0.49
ALDH1A1 P00352 4/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CYP1A2 P05177 2/20 0.47
NPC1 O15118 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
RIPK1 Q13546 1/20 0.41
HSD11B1 P28845 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
APAF1 O14727 1/20 0.40
GRK2 P25098 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3985660 0.84 NPC1 (0.49) POLBLMNAMEN1KMT2ACYP1A2
SCHEMBL3982955 0.82 HTT (0.47) POLBLMNAMEN1KMT2ACYP1A2
SCHEMBL3983930 0.82 NPC1 (0.45) POLBLMNAMEN1KMT2ACYP1A2
SCHEMBL3987262 0.81 MIF (0.47) POLBLMNAMEN1KMT2ACYP1A2
SCHEMBL3990123 0.80 F2 (0.43) POLBLMNAMEN1KMT2ACYP1A2
SCHEMBL3989993 0.79 RIPK1 (0.39) POLBLMNAALDH1A1HPGDCYP1A2
SCHEMBL3989737 0.79 ALDH1A1 (0.47) POLBLMNAALDH1A1HPGDCYP1A2
SCHEMBL1095641 0.77 MEN1 (0.43) POLBLMNAALDH1A1HPGDL3MBTL1
SCHEMBL3979800 0.74 MIF (0.49) POLBLMNAMEN1KMT2ACYP1A2
SCHEMBL3984276 0.73 ALDH1A1 (0.44) POLBLMNAALDH1A1HPGDKMT2A

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 POLB 3327/4885LMNA 1320/4885ALDH1A1 468/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 POLB 3172/4885LMNA 734/4885ALDH1A1 974/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 POLB 3172/4885LMNA 734/4885ALDH1A1 974/4885

“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.