SCHEMBL6749654

SCHEMBL6749654

O=S(=O)(NCc1ccncc1)c1[c]cccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.60
LMNA P02545 6/20 0.60
HTT P42858 7/20 0.50
NR2F2 P24468 4/20 0.48
RAB9A P51151 4/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GALR3 O60755 1/20 0.47
NSD2 O96028 1/20 0.46
NAMPT P43490 2/20 0.45
NOD2 Q9HC29 1/20 0.44
KEAP1 Q14145 1/20 0.44
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL6693528 0.80 L3MBTL1 (0.42) SMN1; SMN2LMNAALDH1A1L3MBTL1KEAP1
SCHEMBL4662893 0.76 SMN1; SMN2 (1.00) SMN1; SMN2LMNAHTTNR2F2RAB9A
SCHEMBL4061705 0.74 ALDH1A1 (0.42) SMN1; SMN2LMNAALDH1A1TDP1
SCHEMBL483343 0.74 ALDH1A1 (0.43) SMN1; SMN2LMNAALDH1A1
SCHEMBL6526694 0.72 LMNA (0.65) SMN1; SMN2LMNAHTTALDH1A1NAMPT
SCHEMBL5051601 0.71 CA12 (0.46) SMN1; SMN2LMNAALDH1A1L3MBTL1
SCHEMBL6690757 0.71 AURKA (0.47) LMNAALDH1A1L3MBTL1
SCHEMBL3431144 0.71 CA2 (0.64) SMN1; SMN2LMNAHTTNR2F2RAB9A
SCHEMBL27083363 0.71 SMN1; SMN2 (0.82) SMN1; SMN2LMNAHTTNR2F2RAB9A
SCHEMBL11174344 0.71 SMN1; SMN2 (0.69) SMN1; SMN2LMNAHTTNR2F2RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6730783-B2 REACTING AMINOGUANIDINE WITH CARBONYL COMPOUND TO FORM AMIDINOHYDRAZONE; REDUCTION; REACTING WITH ALKOXYAMINE; GUANIDINYLATION; ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-05-04 US disclosed
US-6706765-B2 ESPECIALLY TRYPSIN-LIKE SERINE PROTEASES, SUCH AS CHYMOTRYPSIN, TRYPSIN, THROMBIN, PLASMIN AND FACTOR XA. 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-03-16 US disclosed
US-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-01 US disclosed
US-6635637-B2 Cyclic oxyguanidine derivatives useful as enzyme inhibitors, and particularly to a new class of non- peptidic inhibitors of proteolytic enzymes; treats pancreatitis, thrombosis, ischemia, stroke, restenosis, emphysema and inflammation DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-21 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US disclosed
EP-1307432-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2003-05-07 EP disclosed
US-6518310-B2 Non-peptidic; inhibits trypsin-like protease, thrombin and embolus formation; anticoagulant 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-11 US disclosed
EP-0944590-B1 AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2002-03-20 EP disclosed
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-21 US disclosed
WO-2002012207-A1 CYCLIC OXYGUANIDINE PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2002-02-14 WO disclosed
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-11-01 US disclosed
US-6235778-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-05-22 US 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 (4 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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 SMN1; SMN2 2880/4885LMNA 1004/4885HTT 2344/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 SMN1; SMN2 2899/4885LMNA 1769/4885HTT 2560/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 SMN1; SMN2 3532/4885LMNA 1787/4885HTT 2170/4885
US-20020022615-A1 Cyclic oxyguanidine protease inhibitors PLG, TFPI, PLAT SMN1; SMN2 3440/4885LMNA 3084/4885HTT 1599/4885

“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.