SCHEMBL6653550

SCHEMBL6653550

O=C(OCc1ccccc1)c1cc(Cl)cc(OCCCO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A3 Q01959 1/20 0.50
LMNA P02545 3/20 0.47
MRGPRX4 Q96LA9 1/20 0.46
MEN1 O00255 1/20 0.46
F2 P00734 1/20 0.44
POLB P06746 1/20 0.43
ALDH1A1 P00352 6/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP3A4 P08684 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL7310898 0.88 KMT2A (0.59) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6653024 0.88 KMT2A (0.48) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL19504138 0.82 TDP1 (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6655537 0.81 RECQL (0.46) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3081480 0.80 KMT2A (0.57) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6655185 0.78 TDP1 (0.62) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL3087619 0.78 KMT2A (0.54) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL16897964 0.78 KMT2A (0.73) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL6851170 0.78 KMT2A (0.68) KMT2ATDP1SLC6A2SLC6A3LMNA
SCHEMBL7420476 0.76 LMNA (0.62) KMT2ALMNAMRGPRX4MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1070049-B1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS DIMENSIONAL PHARM INC (US) 2004-06-30 EP disclosed
US-6344486-B1 ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-02-05 US disclosed
US-6344466-B2 ANTITHROMBOTIC ACTIVITY, USE IN INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, ANTICOAGULANTS 3-DIMENSIONAL PHARMACEUTICALS INC. 2002-02-05 US disclosed
US-20010031870-A1 Benzamide and sulfonamide substitued aminoguanidines and alkoxyguanidines as protese inhibitors SOLL RICHARD M (US) 2001-10-18 US disclosed
CN-1303365-A Benzamide and sulfonamide substituted aminoguanidines and alkoxyguanidines as protease inhibitors DIMENSIONAL PHARM INC (US) 2001-07-11 CN disclosed
EP-1070049-A1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-01-24 EP disclosed
WO-1999051571-A1 BENZAMIDE AND SULFONAMIDE SUBSTITUTED AMINOGUANIDINES AND ALKOXYGUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 1999-10-14 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 (1 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-20010031870-A1 Benzamide and sulfonamide substitued aminoguanidines and alkoxyguanidines as protese inhibitors PLG, F9, TFPI KMT2A 994/4885TDP1 1415/4885SLC6A2 4224/4885

“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.