SCHEMBL6749656

SCHEMBL6749656

Cc1ccccc1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
HTT P42858 1/20 0.57
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
CYP19A1 P11511 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
MMP1 P03956 1/20 0.51
MMP2 P08253 1/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51
MMP13 P45452 1/20 0.51
LMNA P02545 1/20 0.51
CA12 O43570 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
THRB P10828 1/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47

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
SCHEMBL11064556 0.86 ALDH1A1 (1.00) ALDH1A1KMT2AMEN1CYP19A1CA1
SCHEMBL15311833 0.84 ALDH1A1 (0.62) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL30649118 0.83 KMT2A (0.71) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL4389696 0.83 KMT2A (0.71) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL3374012 0.81 ALDH1A1 (0.80) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL2336131 0.80 KMT2A (0.64) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL31284709 0.80 KMT2A (0.68) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL27006685 0.80 KMT2A (0.68) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL29571128 0.80 KMT2A (0.68) ALDH1A1HTTKMT2AMEN1CYP19A1
SCHEMBL16499623 0.80 ALDH1A1 (0.54) ALDH1A1HTTKMT2AMEN1CYP19A1

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 9 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-6638931-B1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-10-28 US disclosed
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-08-21 US 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-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 (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-20040002539-A1 Process for preparing aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 ALDH1A1 3412/4885HTT 2344/4885KMT2A 2709/4885
US-20030158252-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors PLG, MMP9, F9 ALDH1A1 2867/4885HTT 2560/4885KMT2A 2493/4885
US-20010037039-A1 Aminoguanidines and alkoxyguanidines as protease inhibitors F9, PLG, MMP9 ALDH1A1 3151/4885HTT 2170/4885KMT2A 2438/4885

“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.