SCHEMBL6923975

SCHEMBL6923975

COC(=S)c1cc(NC(=O)c2cccc(C)c2)c(C)s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
GAA P10253 1/20 0.50
KCNK3 O14649 5/20 0.49
KCNK9 Q9NPC2 4/20 0.49
KCNH2 Q12809 1/20 0.49
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
POLB P06746 2/20 0.46
TP53 P04637 1/20 0.46
CRHBP P24387 1/20 0.46
RECQL P46063 1/20 0.46
CRHR2 Q13324 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL6928934 0.88 MEN1 (0.60) KMT2AMEN1ALDH1A1KDM4EKCNK3
SCHEMBL6926913 0.81 KMT2A (0.57) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6928137 0.77 MAPT (0.54) KMT2AMEN1ALDH1A1KDM4ERAB9A
SCHEMBL6926582 0.77 MEN1 (0.57) KMT2AMEN1ALDH1A1RAB9ANPC1
SCHEMBL6928033 0.77 NPC1 (0.53) KMT2AALDH1A1KDM4EGAARAB9A
SCHEMBL6928924 0.76 RAB9A (0.44) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6923585 0.73 KDM4E (0.40) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6923971 0.73 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL6920651 0.72 L3MBTL1 (0.35) KMT2AMEN1ALDH1A1KDM4EGAA
SCHEMBL27481953 0.71 HDAC8 (0.50) KMT2AMEN1ALDH1A1KCNK3KCNK9

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-6562840-B1 Non-peptidic inhibitors of proteolytic enzymes such as urokinase 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-05-13 US disclosed
US-6515002-B2 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases 3-DIMENSIONAL PHARMACEUTICALS, INC. 2003-02-04 US disclosed
US-6492403-B1 TREATING SYMPTOMS OF ACUTE OR CHRONIC DISORDER MEDIATED BY CLASSICAL PATHWAY OF COMPLEMENT CASCADE; PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-12-10 US disclosed
US-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US disclosed
US-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-03-28 US disclosed
EP-1152759-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-14 EP disclosed
EP-1150979-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-11-07 EP disclosed
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors ILLIG CARL R (US) 2001-10-18 US disclosed
US-6291514-B1 Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors 3-DIMENSIONAL PHARMACEUTICALS, INC. 2001-09-18 US disclosed
WO-2000047194-A9 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR DIMENSIONAL PHARM INC (US) 2001-05-31 WO disclosed
WO-2000047578-A1 HETEROARYL AMIDINES, METHYLAMIDINES AND GUANIDINES AS PROTEASE INHIBITORS 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 WO disclosed
WO-2000047194-A2 METHODS OF TREATING C1s-MEDIATED DISEASES AND CONDITIONS, AND COMPOUNDS AND COMPOSITIONS THEREFOR 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2000-08-17 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 (2 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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 KMT2A 4700/4885MEN1 91/4885ALDH1A1 3467/4885
US-20010031781-A1 Heteroaryl amidines, methylamidines and guanidines and use thereof as protease inhibitors SERPINE1, PRSS3, PRSS2 KMT2A 2992/4885MEN1 2168/4885ALDH1A1 3209/4885

“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.