SCHEMBL3986565

SCHEMBL3986565

CSc1cc(C2=NCCN2C)ccc1C1=NOC(C(N)=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
HSD17B10 Q99714 4/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38
KMT2A Q03164 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
TP53 P04637 1/20 0.38
MIF P14174 4/20 0.36
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 1/20 0.34
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL3989167 0.85 PDE4A (0.41) ALDH1A1HSD17B10HPGDALOX15KMT2A
SCHEMBL3982944 0.85 PDE4A (0.39) ALDH1A1HSD17B10HPGDALOX15KMT2A
SCHEMBL3983064 0.84 PDE4A (0.40) ALDH1A1HSD17B10HPGDALOX15KMT2A
SCHEMBL3988694 0.84 PDE4A (0.52) ALDH1A1HSD17B10HPGDPDE4APDE4B
SCHEMBL3985787 0.83 CA1 (0.46) ALDH1A1HSD17B10HPGDPDE4APDE4B
SCHEMBL3986571 0.83 CHRM1 (0.32) MIF
SCHEMBL3981651 0.83 MIF (0.45) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL3984047 0.82 KDM4E (0.41) ALDH1A1HSD17B10LMNAHPGDKMT2A
SCHEMBL3983998 0.82 PDE4A (0.43) ALDH1A1HSD17B10HPGDPDE4APDE4B
SCHEMBL3989655 0.80 PDE4A (0.60) ALDH1A1HSD17B10HPGDPDE4APDE4B

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 ALDH1A1 468/4885HSD17B10 2917/4885LMNA 1320/4885
US-20090298806-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885HSD17B10 682/4885LMNA 734/4885
US-20120178733-A1 FACTOR XA INHIBITORS TFPI, F12, F11 ALDH1A1 974/4885HSD17B10 682/4885LMNA 734/4885

“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.