SCHEMBL6928162

SCHEMBL6928162

CCCc1c(C(=O)CBr)cnn1-c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.58
ALDH1A1 P00352 9/20 0.58
MAPT P10636 6/20 0.58
MAPK1 P28482 4/20 0.58
GAA P10253 2/20 0.58
POLB P06746 1/20 0.55
MAPK14 Q16539 5/20 0.54
LMNA P02545 1/20 0.53
RAB9A P51151 1/20 0.49

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
SCHEMBL4036784 0.89 NR4A3 (0.74) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL773204 0.86 NR4A3 (0.78) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL13593554 0.85 ALDH1A1 (0.63) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL27808 0.83 NR4A3 (0.61) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2326295 0.80 ALDH1A1 (0.60) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL1778201 0.80 MAPK1 (0.68) NR4A3ALDH1A1MAPTMAPK1LMNA
SCHEMBL2326321 0.80 ALDH1A1 (0.68) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2856945 0.79 ALDH1A1 (0.81) ALDH1A1MAPTMAPK1GAAPOLB
SCHEMBL2326302 0.78 ALDH1A1 (0.54) NR4A3ALDH1A1MAPTMAPK1GAA
SCHEMBL2857718 0.78 ALDH1A1 (0.69) NR4A3ALDH1A1MAPTMAPK1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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-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 (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-20020037915-A1 Compounds and compositons for treating C1s-mediated diseases and conditions C1S, C1R, C9 NR4A3 1694/4885ALDH1A1 3467/4885MAPT 1954/4885

“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.