SCHEMBL3989769

SCHEMBL3989769

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
NPC1 O15118 7/20 0.38
RAB9A P51151 7/20 0.38
F10 P00742 5/20 0.37
HPGD P15428 2/20 0.37
KCNH2 Q12809 1/20 0.37
POLB P06746 1/20 0.36
HDAC4 P56524 2/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PARP1 P09874 1/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3984496 0.99 LMNA (0.40) LMNANPC1RAB9AF10HPGD
SCHEMBL3984166 0.83 HPGD (0.41) LMNANPC1RAB9AF10HPGD
SCHEMBL3989804 0.82 HPGD (0.42) LMNANPC1RAB9AF10HPGD
SCHEMBL3986527 0.81 SCD (0.39) LMNANPC1RAB9AF10HPGD
SCHEMBL3988495 0.80 NOTUM (0.39) LMNANPC1RAB9AHPGDPOLB
SCHEMBL3982881 0.79 HPGD (0.40) LMNANPC1RAB9AHPGDPOLB
SCHEMBL3979792 0.78 NOTUM (0.39) LMNANPC1RAB9AHPGDPOLB
SCHEMBL3981410 0.77 SMN1; SMN2 (0.40) NPC1RAB9AF10KCNH2TP53
SCHEMBL4941286 0.74 NOTUM (0.43) LMNANPC1RAB9APOLBTP53
SCHEMBL3988494 0.74 POLB (0.40) LMNANPC1RAB9AHPGDPOLB

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 LMNA 1320/4885NPC1 1087/4885RAB9A 3528/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 LMNA 734/4885NPC1 887/4885RAB9A 2543/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 LMNA 734/4885NPC1 887/4885RAB9A 2543/4885

“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.